N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide

C20H18ClN5O2 — CID 118693922

IUPACN-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)c1
InChIInChI=1S/C20H18ClN5O2/c1-12-7-14(9-22-8-12)19(27)24-17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-15(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyYYNONJYPLIDEQV-ZDUSSCGKSA-N
MW395.85 g/mol
LogP3.71
Rot. Bonds3

About N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide

N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide (PubChem CID 118693922) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
PubChem CID118693922
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)c1
InChIInChI=1S/C20H18ClN5O2/c1-12-7-14(9-22-8-12)19(27)24-17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-15(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyYYNONJYPLIDEQV-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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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide (CID 118693922) is N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cnn3c2C(=O)N(c2ccc(Cl)cc2)C[C@@H]3C)c1.
What is the InChIKey of N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is YYNONJYPLIDEQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-12-7-14(9-22-8-12)19(27)24-17-10-23-26-13(2)11-25(20(28)18(17)26)16-5-3-15(21)4-6-16/h3-10,13H,11H2,1-2H3,(H,24,27)/t13-/m0/s1.
What are the key properties of N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide?
N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-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 N-[(7S)-5-(4-chlorophenyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 118693922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).