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

C32H34ClFN8O3 — CID 134436113

About 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-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-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 134436113) has the molecular formula C32H34ClFN8O3 and a molecular weight of 633.13 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-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-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 134436113
• Molecular Formula: C32H34ClFN8O3
• Molecular Weight: 633.13 g/mol
• Exact Mass: 632.24
• IUPAC Name: 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-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(OCCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C32H34ClFN8O3/c1-32(39-31(43)29-27(33)15-24(34)20-37-29)5-8-41(9-6-32)28-4-3-22(18-36-28)26-16-25(21-42-30(26)23(17-35)19-38-42)45-12-2-7-40-10-13-44-14-11-40/h3-4,15-16,18-21H,2,5-14H2,1H3,(H,39,43)
• InChIKey: DSVCNLPFTYTEGE-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 120.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.13
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-morpholin-4-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-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (CID 134436113) is 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-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-morpholin-4-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-morpholin-4-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(OCCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is DSVCNLPFTYTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN8O3/c1-32(39-31(43)29-27(33)15-24(34)20-37-29)5-8-41(9-6-32)28-4-3-22(18-36-28)26-16-25(21-42-30(26)23(17-35)19-38-42)45-12-2-7-40-10-13-44-14-11-40/h3-4,15-16,18-21H,2,5-14H2,1H3,(H,39,43).

What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-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-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 633.13 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-[3-cyano-6-(3-morpholin-4-ylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134436113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).