5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C26H25ClFN7OS — CID 168885521

About 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885521) has the molecular formula C26H25ClFN7OS and a molecular weight of 538.05 g/mol. Its IUPAC name is 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168885521
• Molecular Formula: C26H25ClFN7OS
• Molecular Weight: 538.05 g/mol
• Exact Mass: 537.15
• IUPAC Name: 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• SMILES: N/C=C\C=C(/N)c1cc2c(cn1)nc(-c1ccccc1F)n2C1CCCC(NC(=O)c2ncc(Cl)s2)C1
• InChI: InChI=1S/C26H25ClFN7OS/c27-23-14-32-26(37-23)25(36)33-15-5-3-6-16(11-15)35-22-12-20(19(30)9-4-10-29)31-13-21(22)34-24(35)17-7-1-2-8-18(17)28/h1-2,4,7-10,12-16H,3,5-6,11,29-30H2,(H,33,36)/b10-4-,19-9-
• InChIKey: VUQHSFJDRHQVCM-SCLJVTHQSA-N
• XLogP: 5.03
• TPSA: 124.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.05
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885521) is 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is N/C=C\C=C(/N)c1cc2c(cn1)nc(-c1ccccc1F)n2C1CCCC(NC(=O)c2ncc(Cl)s2)C1.

What is the InChIKey of 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The InChIKey is VUQHSFJDRHQVCM-SCLJVTHQSA-N. The full InChI is InChI=1S/C26H25ClFN7OS/c27-23-14-32-26(37-23)25(36)33-15-5-3-6-16(11-15)35-22-12-20(19(30)9-4-10-29)31-13-21(22)34-24(35)17-7-1-2-8-18(17)28/h1-2,4,7-10,12-16H,3,5-6,11,29-30H2,(H,33,36)/b10-4-,19-9-.

What are the key properties of 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 538.05 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-[6-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).