5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C24H24ClF2N5O2S — CID 134456186

About 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134456186) has the molecular formula C24H24ClF2N5O2S and a molecular weight of 520.01 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134456186
• Molecular Formula: C24H24ClF2N5O2S
• Molecular Weight: 520.01 g/mol
• Exact Mass: 519.13
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• SMILES: COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
• InChI: InChI=1S/C24H24ClF2N5O2S/c1-12-13(2)35-24(28-12)14-7-8-15(17(10-14)33-3)29-16-11-18(25)30-22-20(16)31-23(21(26)27)32(22)19-6-4-5-9-34-19/h7-8,10-11,19,21H,4-6,9H2,1-3H3,(H,29,30)
• InChIKey: GJLPFSQUNGWFAA-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.01
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134456186) is 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1cc(-c2nc(C)c(C)s2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The InChIKey is GJLPFSQUNGWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O2S/c1-12-13(2)35-24(28-12)14-7-8-15(17(10-14)33-3)29-16-11-18(25)30-22-20(16)31-23(21(26)27)32(22)19-6-4-5-9-34-19/h7-8,10-11,19,21H,4-6,9H2,1-3H3,(H,29,30).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 520.01 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134456186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).