6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide

C20H22N6O3 — CID 155917755

About 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide

6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 155917755) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide
• PubChem CID: 155917755
• Molecular Formula: C20H22N6O3
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.18
• IUPAC Name: 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide
• SMILES: Cc1cc2n(n1)CCN(C(=O)[C@H]1C[C@H](NC(=O)c3ccc(C#N)nc3)[C@@H](O)C1)C2
• InChI: InChI=1S/C20H22N6O3/c1-12-6-16-11-25(4-5-26(16)24-12)20(29)14-7-17(18(27)8-14)23-19(28)13-2-3-15(9-21)22-10-13/h2-3,6,10,14,17-18,27H,4-5,7-8,11H2,1H3,(H,23,28)/t14-,17-,18-/m0/s1
• InChIKey: SCSXAUSFDOQKQL-WBAXXEDZSA-N
• XLogP: 0.37
• TPSA: 124.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide?

The IUPAC name of 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide (CID 155917755) is 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide?

The canonical SMILES for 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide is Cc1cc2n(n1)CCN(C(=O)[C@H]1C[C@H](NC(=O)c3ccc(C#N)nc3)[C@@H](O)C1)C2.

What is the InChIKey of 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide?

The InChIKey is SCSXAUSFDOQKQL-WBAXXEDZSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-6-16-11-25(4-5-26(16)24-12)20(29)14-7-17(18(27)8-14)23-19(28)13-2-3-15(9-21)22-10-13/h2-3,6,10,14,17-18,27H,4-5,7-8,11H2,1H3,(H,23,28)/t14-,17-,18-/m0/s1.

What are the key properties of 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide?

6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-N-[(1S,2S,4S)-2-hydroxy-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 155917755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).