N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

C30H29N9O2 — CID 134436221

About N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134436221) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134436221
• Molecular Formula: C30H29N9O2
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.24
• IUPAC Name: N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• SMILES: CC1(NC(=O)c2ccccn2)CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C30H29N9O2/c1-30(36-29(40)26-4-2-3-9-33-26)7-11-38(12-8-30)27-6-5-22(18-34-27)25-16-24(41-15-14-37-13-10-32-21-37)20-39-28(25)23(17-31)19-35-39/h2-6,9-10,13,16,18-21H,7-8,11-12,14-15H2,1H3,(H,36,40)
• InChIKey: BQYUHBMESURESQ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134436221) is N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(NC(=O)c2ccccn2)CCN(c2ccc(-c3cc(OCCn4ccnc4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The InChIKey is BQYUHBMESURESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-30(36-29(40)26-4-2-3-9-33-26)7-11-38(12-8-30)27-6-5-22(18-34-27)25-16-24(41-15-14-37-13-10-32-21-37)20-39-28(25)23(17-31)19-35-39/h2-6,9-10,13,16,18-21H,7-8,11-12,14-15H2,1H3,(H,36,40).

What are the key properties of N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134436221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).