6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol

C24H17ClF3N5O2 — CID 91195325

About 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol

6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol (PubChem CID 91195325) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol.

Molecular Properties

• Compound Name: 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol
• PubChem CID: 91195325
• Molecular Formula: C24H17ClF3N5O2
• Molecular Weight: 499.88 g/mol
• Exact Mass: 499.10
• IUPAC Name: 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol
• SMILES: COc1cc(Nc2cc(Cl)cn3c(-c4cc(F)c(F)c(F)c4)c(O)nc23)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H17ClF3N5O2/c1-12-9-32(11-29-12)19-4-3-15(8-20(19)35-2)30-18-7-14(25)10-33-22(24(34)31-23(18)33)13-5-16(26)21(28)17(27)6-13/h3-11,30,34H,1-2H3
• InChIKey: ZYZJAHBIJMANQA-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 76.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.88
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol?

The IUPAC name of 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol (CID 91195325) is 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol.

What is the SMILES notation for 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol?

The canonical SMILES for 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol is COc1cc(Nc2cc(Cl)cn3c(-c4cc(F)c(F)c(F)c4)c(O)nc23)ccc1-n1cnc(C)c1.

What is the InChIKey of 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol?

The InChIKey is ZYZJAHBIJMANQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c1-12-9-32(11-29-12)19-4-3-15(8-20(19)35-2)30-18-7-14(25)10-33-22(24(34)31-23(18)33)13-5-16(26)21(28)17(27)6-13/h3-11,30,34H,1-2H3.

What are the key properties of 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol?

6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol has a molecular weight of 499.88 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-2-ol is sourced from PubChem (CID 91195325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).