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

C21H18N6O — CID 136737738

IUPAC(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2cccnc2)c2c1NC(=O)C[C@H]2c1ccnn1-c1ccccc1
InChIInChI=1S/C21H18N6O/c1-26-21-19(20(25-26)14-6-5-10-22-13-14)16(12-18(28)24-21)17-9-11-23-27(17)15-7-3-2-4-8-15/h2-11,13,16H,12H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyGUHFSHUUKYVSQG-INIZCTEOSA-N
MW370.42 g/mol
LogP3.14
Rot. Bonds3

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

(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737738) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737738
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2cccnc2)c2c1NC(=O)C[C@H]2c1ccnn1-c1ccccc1
InChIInChI=1S/C21H18N6O/c1-26-21-19(20(25-26)14-6-5-10-22-13-14)16(12-18(28)24-21)17-9-11-23-27(17)15-7-3-2-4-8-15/h2-11,13,16H,12H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyGUHFSHUUKYVSQG-INIZCTEOSA-N
XLogP3.14
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911828
1,3-dimethyl-4-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171906826
(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
1-methyl-4-(2-methylpyrazol-3-yl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169413276
4-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
(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
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620906
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
3-(4-chlorophenyl)-4-(4-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620727
1-(4,6-dimethylpyrimidin-2-yl)-3,4-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620978

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136737738) is (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(-c2cccnc2)c2c1NC(=O)C[C@H]2c1ccnn1-c1ccccc1.
What is the InChIKey of (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is GUHFSHUUKYVSQG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18N6O/c1-26-21-19(20(25-26)14-6-5-10-22-13-14)16(12-18(28)24-21)17-9-11-23-27(17)15-7-3-2-4-8-15/h2-11,13,16H,12H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 370.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).