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

C20H19N5O2 — CID 118694231

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

(7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 118694231) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 118694231
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccccc2)C[C@@H]3C)ccn1
• InChI: InChI=1S/C20H19N5O2/c1-13-10-15(8-9-21-13)23-19(26)17-11-22-25-14(2)12-24(20(27)18(17)25)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,21,23,26)/t14-/m0/s1
• InChIKey: CPLKACKHFIMBRW-AWEZNQCLSA-N
• XLogP: 3.06
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 118694231) is (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccccc2)C[C@@H]3C)ccn1.

What is the InChIKey of (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is CPLKACKHFIMBRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-10-15(8-9-21-13)23-19(26)17-11-22-25-14(2)12-24(20(27)18(17)25)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3,(H,21,23,26)/t14-/m0/s1.

What are the key properties of (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

(7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-methyl-N-(2-methyl-4-pyridinyl)-4-oxo-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 118694231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).