5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide

C28H29N7O3S — CID 24830195

About 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide

5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide (PubChem CID 24830195) has the molecular formula C28H29N7O3S and a molecular weight of 543.65 g/mol. Its IUPAC name is 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide
• PubChem CID: 24830195
• Molecular Formula: C28H29N7O3S
• Molecular Weight: 543.65 g/mol
• Exact Mass: 543.21
• IUPAC Name: 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1cccc(OC2CCNCC2)n1
• InChI: InChI=1S/C28H29N7O3S/c1-17(21-4-3-5-25(33-21)38-20-8-10-30-11-9-20)37-24-13-26(39-27(24)28(29)36)35-16-31-22-12-18(6-7-23(22)35)19-14-32-34(2)15-19/h3-7,12-17,20,30H,8-11H2,1-2H3,(H2,29,36)
• InChIKey: BKKFZWPVLUWSPD-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.65
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide (CID 24830195) is 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1cccc(OC2CCNCC2)n1.

What is the InChIKey of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide?

The InChIKey is BKKFZWPVLUWSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3S/c1-17(21-4-3-5-25(33-21)38-20-8-10-30-11-9-20)37-24-13-26(39-27(24)28(29)36)35-16-31-22-12-18(6-7-23(22)35)19-14-32-34(2)15-19/h3-7,12-17,20,30H,8-11H2,1-2H3,(H2,29,36).

What are the key properties of 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide?

5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-3-[1-(6-piperidin-4-yloxy-2-pyridinyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 24830195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).