(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one

C22H20N4O — CID 135906159

About (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one

(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one (PubChem CID 135906159) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one.

Molecular Properties

• Compound Name: (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
• PubChem CID: 135906159
• Molecular Formula: C22H20N4O
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.16
• IUPAC Name: (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
• SMILES: Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2
• InChI: InChI=1S/C22H20N4O/c1-14-19-20(15-7-6-12-23-13-15)21-17(10-5-11-18(21)27)24-22(19)26(25-14)16-8-3-2-4-9-16/h2-4,6-9,12-13,20,24H,5,10-11H2,1H3/t20-/m0/s1
• InChIKey: REPMZQFDMXYIKQ-FQEVSTJZSA-N
• XLogP: 4.14
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?

The IUPAC name of (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one (CID 135906159) is (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one.

What is the SMILES notation for (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?

The canonical SMILES for (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one is Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2.

What is the InChIKey of (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?

The InChIKey is REPMZQFDMXYIKQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-19-20(15-7-6-12-23-13-15)21-17(10-5-11-18(21)27)24-22(19)26(25-14)16-8-3-2-4-9-16/h2-4,6-9,12-13,20,24H,5,10-11H2,1H3/t20-/m0/s1.

What are the key properties of (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one?

(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one has a molecular weight of 356.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 135906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).