3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide

C25H24N8O2 — CID 172705905

About 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide (PubChem CID 172705905) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

• Compound Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide
• PubChem CID: 172705905
• Molecular Formula: C25H24N8O2
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.20
• IUPAC Name: 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide
• SMILES: COc1ccc([C@@H](C)NC(=O)N2CC=C(c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)C2)cn1
• InChI: InChI=1S/C25H24N8O2/c1-16(17-4-5-23(35-3)27-10-17)30-25(34)32-7-6-18(14-32)22-8-19(21-12-28-31(2)13-21)15-33-24(22)20(9-26)11-29-33/h4-6,8,10-13,15-16H,7,14H2,1-3H3,(H,30,34)/t16-/m1/s1
• InChIKey: DOUZAMMQPQTSGI-MRXNPFEDSA-N
• XLogP: 3.18
• TPSA: 113.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide?

The IUPAC name of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide (CID 172705905) is 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide.

What is the SMILES notation for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide?

The canonical SMILES for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide is COc1ccc([C@@H](C)NC(=O)N2CC=C(c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)C2)cn1.

What is the InChIKey of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide?

The InChIKey is DOUZAMMQPQTSGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-16(17-4-5-23(35-3)27-10-17)30-25(34)32-7-6-18(14-32)22-8-19(21-12-28-31(2)13-21)15-33-24(22)20(9-26)11-29-33/h4-6,8,10-13,15-16H,7,14H2,1-3H3,(H,30,34)/t16-/m1/s1.

What are the key properties of 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide?

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 172705905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).