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

C16H15Cl2N3O — CID 136698073

IUPAC(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O/c1-21-16-13(15(20-21)8-5-6-8)10(7-12(22)19-16)9-3-2-4-11(17)14(9)18/h2-4,8,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
InChIKeyNATKKJYLNLXCII-JTQLQIEISA-N
MW336.22 g/mol
LogP4.08
Rot. Bonds2

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

(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136698073) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136698073
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O/c1-21-16-13(15(20-21)8-5-6-8)10(7-12(22)19-16)9-3-2-4-11(17)14(9)18/h2-4,8,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
InChIKeyNATKKJYLNLXCII-JTQLQIEISA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dichlorophenyl)-1-methyl-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 6496289
(4S)-4-(2,3-dichlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878799
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
(4R)-3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820646
(4R)-3-cyclopropyl-1-methyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697814
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
(4R)-6-bromo-4-(2,3-dichlorophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1269109
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
(4S)-4-(2-chlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878712
(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737748
(4S)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737749

Frequently Asked Questions

What is the IUPAC name of (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136698073) is (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1cccc(Cl)c1Cl.
What is the InChIKey of (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NATKKJYLNLXCII-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-21-16-13(15(20-21)8-5-6-8)10(7-12(22)19-16)9-3-2-4-11(17)14(9)18/h2-4,8,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1.
What are the key properties of (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 336.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136698073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).