3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

C32H34ClFN8O2 — CID 134435343

About 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 134435343) has the molecular formula C32H34ClFN8O2 and a molecular weight of 617.13 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 134435343
• Molecular Formula: C32H34ClFN8O2
• Molecular Weight: 617.13 g/mol
• Exact Mass: 616.25
• IUPAC Name: 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
• SMILES: CC1(NC(=O)c2ncc(F)cc2Cl)CCN(c2ccc(-c3cc(OCCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C32H34ClFN8O2/c1-32(39-31(43)29-27(33)15-24(34)20-37-29)7-12-41(13-8-32)28-6-5-22(18-36-28)26-16-25(21-42-30(26)23(17-35)19-38-42)44-14-4-11-40-9-2-3-10-40/h5-6,15-16,18-21H,2-4,7-14H2,1H3,(H,39,43)
• InChIKey: XXKKYHLAACSBKF-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 111.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.13
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (CID 134435343) is 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is CC1(NC(=O)c2ncc(F)cc2Cl)CCN(c2ccc(-c3cc(OCCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?

The InChIKey is XXKKYHLAACSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN8O2/c1-32(39-31(43)29-27(33)15-24(34)20-37-29)7-12-41(13-8-32)28-6-5-22(18-36-28)26-16-25(21-42-30(26)23(17-35)19-38-42)44-14-4-11-40-9-2-3-10-40/h5-6,15-16,18-21H,2-4,7-14H2,1H3,(H,39,43).

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

3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 617.13 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-[3-cyano-6-(3-pyrrolidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).