N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide

C26H31N7O2 — CID 171074861

About N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide

N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide (PubChem CID 171074861) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide
• PubChem CID: 171074861
• Molecular Formula: C26H31N7O2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.25
• IUPAC Name: N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide
• SMILES: C=CC(=O)NC1(CN2CCC(n3ncc(-c4cc(OC)c5c(C#N)cnn5c4)c3C)CC2)CCC1
• InChI: InChI=1S/C26H31N7O2/c1-4-24(34)30-26(8-5-9-26)17-31-10-6-21(7-11-31)33-18(2)22(15-29-33)19-12-23(35-3)25-20(13-27)14-28-32(25)16-19/h4,12,14-16,21H,1,5-11,17H2,2-3H3,(H,30,34)
• InChIKey: WVVWUTPMYAKTJC-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 100.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide?

The IUPAC name of N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide (CID 171074861) is N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide.

What is the SMILES notation for N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide?

The canonical SMILES for N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide is C=CC(=O)NC1(CN2CCC(n3ncc(-c4cc(OC)c5c(C#N)cnn5c4)c3C)CC2)CCC1.

What is the InChIKey of N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide?

The InChIKey is WVVWUTPMYAKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-4-24(34)30-26(8-5-9-26)17-31-10-6-21(7-11-31)33-18(2)22(15-29-33)19-12-23(35-3)25-20(13-27)14-28-32(25)16-19/h4,12,14-16,21H,1,5-11,17H2,2-3H3,(H,30,34).

What are the key properties of N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide?

N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide has a molecular weight of 473.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[4-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-5-methylpyrazol-1-yl]piperidin-1-yl]methyl]cyclobutyl]prop-2-enamide is sourced from PubChem (CID 171074861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).