N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C33H36FN7O2 — CID 134497117

About N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134497117) has the molecular formula C33H36FN7O2 and a molecular weight of 581.70 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 134497117
• Molecular Formula: C33H36FN7O2
• Molecular Weight: 581.70 g/mol
• Exact Mass: 581.29
• IUPAC Name: N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• SMILES: Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C33H36FN7O2/c1-23-5-7-26(34)17-28(23)32(42)38-33(2)9-13-40(14-10-33)30-8-6-24(20-36-30)29-18-27(43-16-15-39-11-3-4-12-39)22-41-31(29)25(19-35)21-37-41/h5-8,17-18,20-22H,3-4,9-16H2,1-2H3,(H,38,42)
• InChIKey: NZABMKIBELTMID-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.70
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134497117) is N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

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

The canonical SMILES for N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCCN4CCCC4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is NZABMKIBELTMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O2/c1-23-5-7-26(34)17-28(23)32(42)38-33(2)9-13-40(14-10-33)30-8-6-24(20-36-30)29-18-27(43-16-15-39-11-3-4-12-39)22-41-31(29)25(19-35)21-37-41/h5-8,17-18,20-22H,3-4,9-16H2,1-2H3,(H,38,42).

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

N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 581.70 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134497117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).