(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C20H18ClN5O2 — CID 118694175

IUPAC(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)ccn1
InChIInChI=1S/C20H18ClN5O2/c1-12-9-15(7-8-22-12)24-19(27)17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-14(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,22,24,27)/t13-/m0/s1
InChIKeyOBDZAWUPWAXSLQ-ZDUSSCGKSA-N
MW395.85 g/mol
LogP3.71
Rot. Bonds3

About (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694175) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID118694175
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)ccn1
InChIInChI=1S/C20H18ClN5O2/c1-12-9-15(7-8-22-12)24-19(27)17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-14(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,22,24,27)/t13-/m0/s1
InChIKeyOBDZAWUPWAXSLQ-ZDUSSCGKSA-N
XLogP3.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694231
(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-N-pyrazin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694316
(7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 161145870
7-(methoxymethyl)-N-(2-methyl-4-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694278
ethane;7-methyl-N-(2-methylpyridine-4-carbonyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 145008175
N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
CID 118693922
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-N-(5-methyl-3-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159449948
(7S)-5-(4-chlorophenyl)-3-[2-(2,6-dimethyl-4-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 161017507
(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 158547915
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-N-(5-fluoro-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694288
(7S)-5-(4-chloro-3-methylphenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694283

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694175) is (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)ccn1.
What is the InChIKey of (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is OBDZAWUPWAXSLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-9-15(7-8-22-12)24-19(27)17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-14(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,22,24,27)/t13-/m0/s1.
What are the key properties of (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
(7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-chlorophenyl)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).