(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

C22H20N4O — CID 135817084

IUPAC(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1
InChIInChI=1S/C22H20N4O/c1-14-19(15-7-3-2-4-8-15)22-24-17-10-5-11-18(27)20(17)21(26(22)25-14)16-9-6-12-23-13-16/h2-4,6-9,12-13,21,24H,5,10-11H2,1H3/t21-/m0/s1
InChIKeyIBQAPOXXZMNSGA-NRFANRHFSA-N
MW356.43 g/mol
LogP4.28
Rot. Bonds2

About (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 135817084) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID135817084
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1
InChIInChI=1S/C22H20N4O/c1-14-19(15-7-3-2-4-8-15)22-24-17-10-5-11-18(27)20(17)21(26(22)25-14)16-9-6-12-23-13-16/h2-4,6-9,12-13,21,24H,5,10-11H2,1H3/t21-/m0/s1
InChIKeyIBQAPOXXZMNSGA-NRFANRHFSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one with MolForge

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Related Compounds

(9S)-2-methyl-3-phenyl-9-(4-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 136836187
(4S)-3-methyl-1-phenyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135906159
2-(2-methylphenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135666162
(9S)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 694104
2-(4-fluorophenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135856165
(9R)-2-benzylsulfanyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136690242
2-benzhydrylsulfanyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4887229
2-(2-chlorophenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135681259
2-(3-hydroxypropyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135718812
2-(3,4-dichlorophenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135610431
9-(4-chlorophenyl)-2-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135685827
(9R)-2-[(2-chlorophenyl)methylsulfanyl]-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 1405705

Frequently Asked Questions

What is the IUPAC name of (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 135817084) is (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1.
What is the InChIKey of (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is IBQAPOXXZMNSGA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-19(15-7-3-2-4-8-15)22-24-17-10-5-11-18(27)20(17)21(26(22)25-14)16-9-6-12-23-13-16/h2-4,6-9,12-13,21,24H,5,10-11H2,1H3/t21-/m0/s1.
What are the key properties of (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 356.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135817084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).