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

C35H41FN8O2 — CID 134435177

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]-5-fluoro-2-methylbenzamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435177) has the molecular formula C35H41FN8O2 and a molecular weight of 624.77 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]-5-fluoro-2-methylbenzamide.

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]-5-fluoro-2-methylbenzamide
• PubChem CID: 134435177
• Molecular Formula: C35H41FN8O2
• Molecular Weight: 624.77 g/mol
• Exact Mass: 624.33
• 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]-5-fluoro-2-methylbenzamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C35H41FN8O2/c1-4-41-14-16-42(17-15-41)24-35(40-34(45)30-18-28(36)8-6-25(30)3)10-12-43(13-11-35)32-9-7-26(21-38-32)31-19-29(46-5-2)23-44-33(31)27(20-37)22-39-44/h6-9,18-19,21-23H,4-5,10-17,24H2,1-3H3,(H,40,45)
• InChIKey: DQRASCOEDXCFMG-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 102.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.77
LogP ≤ 5	4.52
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]-5-fluoro-2-methylbenzamide?

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]-5-fluoro-2-methylbenzamide (CID 134435177) 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]-5-fluoro-2-methylbenzamide.

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]-5-fluoro-2-methylbenzamide?

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]-5-fluoro-2-methylbenzamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)c4cc(F)ccc4C)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]-5-fluoro-2-methylbenzamide?

The InChIKey is DQRASCOEDXCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN8O2/c1-4-41-14-16-42(17-15-41)24-35(40-34(45)30-18-28(36)8-6-25(30)3)10-12-43(13-11-35)32-9-7-26(21-38-32)31-19-29(46-5-2)23-44-33(31)27(20-37)22-39-44/h6-9,18-19,21-23H,4-5,10-17,24H2,1-3H3,(H,40,45).

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]-5-fluoro-2-methylbenzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 624.77 g/mol, XLogP of 4.52, 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]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).