2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide

C26H14ClF4N7O — CID 118538664

About 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide

2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118538664) has the molecular formula C26H14ClF4N7O and a molecular weight of 551.89 g/mol. Its IUPAC name is 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 118538664
• Molecular Formula: C26H14ClF4N7O
• Molecular Weight: 551.89 g/mol
• Exact Mass: 551.09
• IUPAC Name: 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cc(Cl)ncc1C(F)(F)F
• InChI: InChI=1S/C26H14ClF4N7O/c27-19-11-16(17(12-32-19)26(29,30)31)25(39)34-20-13-38-22(33-20)9-8-18(36-38)24-23(14-4-6-15(28)7-5-14)35-21-3-1-2-10-37(21)24/h1-13H,(H,34,39)
• InChIKey: TXZLIURWTIIEJG-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 89.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.89
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide (CID 118538664) is 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cc(Cl)ncc1C(F)(F)F.

What is the InChIKey of 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is TXZLIURWTIIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14ClF4N7O/c27-19-11-16(17(12-32-19)26(29,30)31)25(39)34-20-13-38-22(33-20)9-8-18(36-38)24-23(14-4-6-15(28)7-5-14)35-21-3-1-2-10-37(21)24/h1-13H,(H,34,39).

What are the key properties of 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide?

2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 551.89 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118538664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).