2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide

C31H32ClFN8O3 — CID 134434852

About 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide

2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (PubChem CID 134434852) has the molecular formula C31H32ClFN8O3 and a molecular weight of 619.10 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
• PubChem CID: 134434852
• Molecular Formula: C31H32ClFN8O3
• Molecular Weight: 619.10 g/mol
• Exact Mass: 618.23
• IUPAC Name: 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
• SMILES: CC1(NC(=O)c2cc(F)ccc2Cl)CCN(c2ncc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C31H32ClFN8O3/c1-31(38-29(42)26-14-23(33)2-3-27(26)32)4-6-40(7-5-31)30-35-17-22(18-36-30)25-15-24(20-41-28(25)21(16-34)19-37-41)44-13-10-39-8-11-43-12-9-39/h2-3,14-15,17-20H,4-13H2,1H3,(H,38,42)
• InChIKey: HVGKNVJLTHUDPP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 120.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.10
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (CID 134434852) is 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.

What is the SMILES notation for 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The canonical SMILES for 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is CC1(NC(=O)c2cc(F)ccc2Cl)CCN(c2ncc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The InChIKey is HVGKNVJLTHUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClFN8O3/c1-31(38-29(42)26-14-23(33)2-3-27(26)32)4-6-40(7-5-31)30-35-17-22(18-36-30)25-15-24(20-41-28(25)21(16-34)19-37-41)44-13-10-39-8-11-43-12-9-39/h2-3,14-15,17-20H,4-13H2,1H3,(H,38,42).

What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide has a molecular weight of 619.10 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is sourced from PubChem (CID 134434852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).