N-[2-methyl-2-(morpholin-4-yl)propyl]-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 393908
• Molecular Formular: C24H41N5O2
• Molecular Mass: 431.61464
• Monoisotopic Mass: 431.32602558
• SMILES: c1(c2c(n(n1)CCC)CCC(C2)NCC(N1CCOCC1)(C)C)C(=O)N1CCCCC1
• Canonical SMILES: CCCn1nc(c2c1CCC(C2)NCC(N1CCOCC1)(C)C)C(=O)N1CCCCC1
• InChI: InChI=1S/C24H41N5O2/c1-4-10-29-21-9-8-19(25-18-24(2,3)28-13-15-31-16-14-28)17-20(21)22(26-29)23(30)27-11-6-5-7-12-27/h19,25H,4-18H2,1-3H3
• InChIKey: WWOMEIBGUMPWHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-2-(morpholin-4-yl)propyl]-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-[2-methyl-2-(morpholin-4-yl)propyl]-3-(piperidine-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-[2-methyl-2-(4-morpholinyl)propyl]-3-(1-piperidinylcarbonyl)-1-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8367684
• LogD (pH = 7.4): 0.23245202
• Log P: 2.4672687
• Molar Refractivity: 136.6417 cm^3
• Polarizability: 48.132603 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.09
• LOG S: -3.69
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 5