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

C30H29N9O2 — CID 134436218

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

N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134436218) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]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-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134436218
• Molecular Formula: C30H29N9O2
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.24
• IUPAC Name: N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• SMILES: Cn1cnc(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)c1
• InChI: InChI=1S/C30H29N9O2/c1-30(36-29(40)26-5-3-4-10-32-26)8-11-38(12-9-30)27-7-6-21(15-33-27)25-13-24(41-19-23-17-37(2)20-34-23)18-39-28(25)22(14-31)16-35-39/h3-7,10,13,15-18,20H,8-9,11-12,19H2,1-2H3,(H,36,40)
• InChIKey: DHZVQVMTYVALRA-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 126.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	3.76
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-[(1-methylimidazol-4-yl)methoxy]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-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134436218) is N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]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-[(1-methylimidazol-4-yl)methoxy]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-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is Cn1cnc(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)c1.

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

The InChIKey is DHZVQVMTYVALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-30(36-29(40)26-5-3-4-10-32-26)8-11-38(12-9-30)27-7-6-21(15-33-27)25-13-24(41-19-23-17-37(2)20-34-23)18-39-28(25)22(14-31)16-35-39/h3-7,10,13,15-18,20H,8-9,11-12,19H2,1-2H3,(H,36,40).

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

N-[1-[5-[3-cyano-6-[(1-methylimidazol-4-yl)methoxy]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 3.76, 7 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-[(1-methylimidazol-4-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134436218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).