(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H18N4O — CID 136882356

IUPAC(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccn2)c2c1NC(=O)C[C@@H]2Cc1ccccc1
InChIInChI=1S/C19H18N4O/c1-23-19-17(18(22-23)15-9-5-6-10-20-15)14(12-16(24)21-19)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyUNVPNNDCUSWGAQ-AWEZNQCLSA-N
MW318.38 g/mol
LogP3.15
Rot. Bonds3

About (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136882356) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136882356
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccn2)c2c1NC(=O)C[C@@H]2Cc1ccccc1
InChIInChI=1S/C19H18N4O/c1-23-19-17(18(22-23)15-9-5-6-10-20-15)14(12-16(24)21-19)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyUNVPNNDCUSWGAQ-AWEZNQCLSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171389191
(4R)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713742
ethyl 4-(1-methyl-6-oxo-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)pyrazolidine-3-carboxylate
CID 137259126
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370
4-(5-chloro-3-methyl-2-pyridinyl)-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640010
(13R)-13-benzyl-4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-11-one
CID 136697811
(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697768
(4R)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136821293
4-[6-fluoro-1-(2-methyl-4-pyridinyl)indazol-5-yl]-1-methyl-3-pyridin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136640092
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136882356) is (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@@H]2Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UNVPNNDCUSWGAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23-19-17(18(22-23)15-9-5-6-10-20-15)14(12-16(24)21-19)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 318.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136882356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).