[6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C19H16ClF3N6O — CID 58449925

About [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 58449925) has the molecular formula C19H16ClF3N6O and a molecular weight of 436.83 g/mol. Its IUPAC name is [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• PubChem CID: 58449925
• Molecular Formula: C19H16ClF3N6O
• Molecular Weight: 436.83 g/mol
• Exact Mass: 436.10
• IUPAC Name: [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
• SMILES: Cc1cn(-c2ccc(Nc3cccn4cc(C(Cl)C(F)(F)F)nc34)nc2CO)cn1
• InChI: InChI=1S/C19H16ClF3N6O/c1-11-7-29(10-24-11)15-4-5-16(26-14(15)9-30)25-12-3-2-6-28-8-13(27-18(12)28)17(20)19(21,22)23/h2-8,10,17,30H,9H2,1H3,(H,25,26)
• InChIKey: IAYQSBLJBRWDJN-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 80.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.83
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The IUPAC name of [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 58449925) is [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

What is the SMILES notation for [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The canonical SMILES for [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is Cc1cn(-c2ccc(Nc3cccn4cc(C(Cl)C(F)(F)F)nc34)nc2CO)cn1.

What is the InChIKey of [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

The InChIKey is IAYQSBLJBRWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O/c1-11-7-29(10-24-11)15-4-5-16(26-14(15)9-30)25-12-3-2-6-28-8-13(27-18(12)28)17(20)19(21,22)23/h2-8,10,17,30H,9H2,1H3,(H,25,26).

What are the key properties of [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?

[6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 436.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 58449925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).