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

C18H16ClN3OS — CID 136773557

IUPAC(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccs2)cc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-10-5-6-12(8-14(10)19)22-18-17(11(2)21-22)13(9-16(23)20-18)15-4-3-7-24-15/h3-8,13H,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyJQDZNLZDOIPSNU-CYBMUJFWSA-N
MW357.87 g/mol
LogP4.68
Rot. Bonds2

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

(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136773557) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136773557
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccs2)cc1Cl
InChIInChI=1S/C18H16ClN3OS/c1-10-5-6-12(8-14(10)19)22-18-17(11(2)21-22)13(9-16(23)20-18)15-4-3-7-24-15/h3-8,13H,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyJQDZNLZDOIPSNU-CYBMUJFWSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135906116
1-(4-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653516
(4S)-1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917025
1-(3-chloro-4-methylphenyl)-3-methyl-4-(naphthalene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986256
1-(3-chloro-4-methylphenyl)-4-(4-hydroxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135546832
(4R)-1-(3-chloro-4-methylphenyl)-4-(2-methoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136910228
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986214
(4S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136916842
1-(3-chloro-4-methylphenyl)-4-(4-ethoxyphenyl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135896605
(4S)-3-methyl-4-(2-methylphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737482
(4S)-1-(4-ethylphenyl)-3-methyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136871564
4-(4-chlorobenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986288

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136773557) is (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccs2)cc1Cl.
What is the InChIKey of (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JQDZNLZDOIPSNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-5-6-12(8-14(10)19)22-18-17(11(2)21-22)13(9-16(23)20-18)15-4-3-7-24-15/h3-8,13H,9H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 357.87 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chloro-4-methylphenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136773557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).