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

C18H18ClN5O — CID 136679082

IUPAC(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-n1nc(C)c2c1NC(=O)C[C@@H]2c1n[nH]c(C)c1Cl
InChIInChI=1S/C18H18ClN5O/c1-9-6-4-5-7-13(9)24-18-15(10(2)23-24)12(8-14(25)20-18)17-16(19)11(3)21-22-17/h4-7,12H,8H2,1-3H3,(H,20,25)(H,21,22)/t12-/m0/s1
InChIKeyVPBLPTIWSKZEFI-LBPRGKRZSA-N
MW355.83 g/mol
LogP3.65
Rot. Bonds2

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

(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136679082) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136679082
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-n1nc(C)c2c1NC(=O)C[C@@H]2c1n[nH]c(C)c1Cl
InChIInChI=1S/C18H18ClN5O/c1-9-6-4-5-7-13(9)24-18-15(10(2)23-24)12(8-14(25)20-18)17-16(19)11(3)21-22-17/h4-7,12H,8H2,1-3H3,(H,20,25)(H,21,22)/t12-/m0/s1
InChIKeyVPBLPTIWSKZEFI-LBPRGKRZSA-N
XLogP3.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136679081
1-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135529902
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
(4R)-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136807687
(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)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828556
(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
(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136828561
(4R)-1-(3-chloro-2-methylphenyl)-3-methyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135880690
(4S)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916970
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135594646
4-[1-(3-chloro-2-methylphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135654186

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136679082) is (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccccc1-n1nc(C)c2c1NC(=O)C[C@@H]2c1n[nH]c(C)c1Cl.
What is the InChIKey of (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VPBLPTIWSKZEFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-9-6-4-5-7-13(9)24-18-15(10(2)23-24)12(8-14(25)20-18)17-16(19)11(3)21-22-17/h4-7,12H,8H2,1-3H3,(H,20,25)(H,21,22)/t12-/m0/s1.
What are the key properties of (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 355.83 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-3-methyl-1-(2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136679082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).