N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide

C18H9Cl3F3N7O — CID 45138867

About N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45138867) has the molecular formula C18H9Cl3F3N7O and a molecular weight of 502.67 g/mol. Its IUPAC name is N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 45138867
• Molecular Formula: C18H9Cl3F3N7O
• Molecular Weight: 502.67 g/mol
• Exact Mass: 500.99
• IUPAC Name: N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cn1
• InChI: InChI=1S/C18H9Cl3F3N7O/c19-8-4-25-5-9(20)15(8)31-17-27-10-3-11(26-6-12(10)28-17)16(32)30-14-2-7(18(22,23)24)1-13(21)29-14/h1-6H,(H,29,30,32)(H2,25,27,28,31)
• InChIKey: KKZLPELGRZDLHG-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.67
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45138867) is N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cn1.

What is the InChIKey of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is KKZLPELGRZDLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3N7O/c19-8-4-25-5-9(20)15(8)31-17-27-10-3-11(26-6-12(10)28-17)16(32)30-14-2-7(18(22,23)24)1-13(21)29-14/h1-6H,(H,29,30,32)(H2,25,27,28,31).

What are the key properties of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 502.67 g/mol, XLogP of 5.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(3,5-dichloro-4-pyridinyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45138867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).