N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide

C27H27FN10O — CID 167038856

About N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide

N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide (PubChem CID 167038856) has the molecular formula C27H27FN10O and a molecular weight of 526.58 g/mol. Its IUPAC name is N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide
• PubChem CID: 167038856
• Molecular Formula: C27H27FN10O
• Molecular Weight: 526.58 g/mol
• Exact Mass: 526.24
• IUPAC Name: N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide
• SMILES: Cn1cc(-c2cc(N3CCC(NC(=O)CC4C=NC(n5cc(F)cn5)=CC4)CC3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C27H27FN10O/c1-35-15-21(13-31-35)19-9-24(27-20(10-29)12-32-38(27)16-19)36-6-4-23(5-7-36)34-26(39)8-18-2-3-25(30-11-18)37-17-22(28)14-33-37/h3,9,11-18,23H,2,4-8H2,1H3,(H,34,39)
• InChIKey: HEJDRRUMIRZOSY-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 121.43 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	526.58
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide?

The IUPAC name of N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide (CID 167038856) is N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide.

What is the SMILES notation for N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide?

The canonical SMILES for N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide is Cn1cc(-c2cc(N3CCC(NC(=O)CC4C=NC(n5cc(F)cn5)=CC4)CC3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide?

The InChIKey is HEJDRRUMIRZOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN10O/c1-35-15-21(13-31-35)19-9-24(27-20(10-29)12-32-38(27)16-19)36-6-4-23(5-7-36)34-26(39)8-18-2-3-25(30-11-18)37-17-22(28)14-33-37/h3,9,11-18,23H,2,4-8H2,1H3,(H,34,39).

What are the key properties of N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide?

N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide has a molecular weight of 526.58 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide is sourced from PubChem (CID 167038856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).