1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

C27H25FN10O — CID 162752722

About 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 162752722) has the molecular formula C27H25FN10O and a molecular weight of 524.56 g/mol. Its IUPAC name is 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
• PubChem CID: 162752722
• Molecular Formula: C27H25FN10O
• Molecular Weight: 524.56 g/mol
• Exact Mass: 524.22
• IUPAC Name: 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
• SMILES: Cn1cc(-c2cc(N3CCC(C(=O)NCc4ccc(-n5cc(F)cn5)nc4)CC3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C27H25FN10O/c1-35-15-22(13-32-35)20-8-24(26-21(9-29)12-33-38(26)16-20)36-6-4-19(5-7-36)27(39)31-11-18-2-3-25(30-10-18)37-17-23(28)14-34-37/h2-3,8,10,12-17,19H,4-7,11H2,1H3,(H,31,39)
• InChIKey: HICZXLZZVARBEW-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 121.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.56
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 162752722) is 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is Cn1cc(-c2cc(N3CCC(C(=O)NCc4ccc(-n5cc(F)cn5)nc4)CC3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?

The InChIKey is HICZXLZZVARBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN10O/c1-35-15-22(13-32-35)20-8-24(26-21(9-29)12-33-38(26)16-20)36-6-4-19(5-7-36)27(39)31-11-18-2-3-25(30-10-18)37-17-23(28)14-34-37/h2-3,8,10,12-17,19H,4-7,11H2,1H3,(H,31,39).

What are the key properties of 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?

1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 524.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 162752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).