5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide

C26H29FN6O2S — CID 68766236

About 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide

5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 68766236) has the molecular formula C26H29FN6O2S and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide
• PubChem CID: 68766236
• Molecular Formula: C26H29FN6O2S
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.21
• IUPAC Name: 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide
• SMILES: CCN1CCN(Cc2cc3c(cn2)ncn3-c2cc(OC(C)c3ccccc3F)c(C(N)=O)s2)CC1
• InChI: InChI=1S/C26H29FN6O2S/c1-3-31-8-10-32(11-9-31)15-18-12-22-21(14-29-18)30-16-33(22)24-13-23(25(36-24)26(28)34)35-17(2)19-6-4-5-7-20(19)27/h4-7,12-14,16-17H,3,8-11,15H2,1-2H3,(H2,28,34)
• InChIKey: FNCOXDTZBDEGIH-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 89.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide (CID 68766236) is 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide is CCN1CCN(Cc2cc3c(cn2)ncn3-c2cc(OC(C)c3ccccc3F)c(C(N)=O)s2)CC1.

What is the InChIKey of 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide?

The InChIKey is FNCOXDTZBDEGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2S/c1-3-31-8-10-32(11-9-31)15-18-12-22-21(14-29-18)30-16-33(22)24-13-23(25(36-24)26(28)34)35-17(2)19-6-4-5-7-20(19)27/h4-7,12-14,16-17H,3,8-11,15H2,1-2H3,(H2,28,34).

What are the key properties of 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide?

5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(4-ethylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-(2-fluorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 68766236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).