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

C18H13ClFN3O2S — CID 136884754

IUPAC(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(F)cc2)c2c1[C@H](C(=O)c1ccc(Cl)s1)CC(=O)N2
InChIInChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-6-7-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-10(20)3-5-11/h2-7,12H,8H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyDCFAAAIMWZBACH-GFCCVEGCSA-N
MW389.84 g/mol
LogP4.34
Rot. Bonds3

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

(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136884754) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136884754
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(F)cc2)c2c1[C@H](C(=O)c1ccc(Cl)s1)CC(=O)N2
InChIInChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-6-7-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-10(20)3-5-11/h2-7,12H,8H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyDCFAAAIMWZBACH-GFCCVEGCSA-N
XLogP4.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(3-chlorobenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884745
(4S)-1-(2,4-difluorophenyl)-3-methyl-4-(5-methylthiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884604
(4R)-4-(2,6-dimethoxybenzoyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884744
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
4-(4-ethylbenzoyl)-1-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986225
4-(4-chlorobenzoyl)-1-(3,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986288
N-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 136703081
4-(2-chlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135986264
1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135756434
(4S)-1-(3,5-dimethylphenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884306
(4R)-1-(2,4-difluorophenyl)-4-(4-hydroxybenzoyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884596
(4R)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136884699

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136884754) is (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(F)cc2)c2c1[C@H](C(=O)c1ccc(Cl)s1)CC(=O)N2.
What is the InChIKey of (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DCFAAAIMWZBACH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c1-9-16-12(17(25)13-6-7-14(19)26-13)8-15(24)21-18(16)23(22-9)11-4-2-10(20)3-5-11/h2-7,12H,8H2,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 389.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-chlorothiophene-2-carbonyl)-1-(4-fluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).