N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

C35H39F3N8O2 — CID 134435510

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 134435510) has the molecular formula C35H39F3N8O2 and a molecular weight of 660.75 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
• PubChem CID: 134435510
• Molecular Formula: C35H39F3N8O2
• Molecular Weight: 660.75 g/mol
• Exact Mass: 660.31
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ccccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C35H39F3N8O2/c1-3-43-15-17-44(18-16-43)24-34(42-33(47)28-7-5-6-8-30(28)35(36,37)38)11-13-45(14-12-34)31-10-9-25(21-40-31)29-19-27(48-4-2)23-46-32(29)26(20-39)22-41-46/h5-10,19,21-23H,3-4,11-18,24H2,1-2H3,(H,42,47)
• InChIKey: ZXQPLTKWVQRCKL-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 102.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.75
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 134435510) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4ccccc4C(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?

The InChIKey is ZXQPLTKWVQRCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F3N8O2/c1-3-43-15-17-44(18-16-43)24-34(42-33(47)28-7-5-6-8-30(28)35(36,37)38)11-13-45(14-12-34)31-10-9-25(21-40-31)29-19-27(48-4-2)23-46-32(29)26(20-39)22-41-46/h5-10,19,21-23H,3-4,11-18,24H2,1-2H3,(H,42,47).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 660.75 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134435510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).