5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

C53H58ClF4N15O6 — CID 159136977

About 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (PubChem CID 159136977) has the molecular formula C53H58ClF4N15O6 and a molecular weight of 1112.59 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
• PubChem CID: 159136977
• Molecular Formula: C53H58ClF4N15O6
• Molecular Weight: 1112.59 g/mol
• Exact Mass: 1111.43
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
• SMILES: COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.NC(=O)C1CC1
• InChI: InChI=1S/C27H29F2N7O3.C22H22ClF2N7O2.C4H7NO/c1-35-14-30-25(34-35)17-6-5-7-18(23(17)38-2)32-19-12-16(13-20(37)15-9-10-15)31-26-22(19)33-27(24(28)29)36(26)21-8-3-4-11-39-21;1-31-11-26-20(30-31)12-6-5-7-13(18(12)33-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)32(21)16-8-3-4-9-34-16;5-4(6)3-1-2-3/h5-7,12,14-15,21,24H,3-4,8-11,13H2,1-2H3,(H,31,32);5-7,10-11,16,19H,3-4,8-9H2,1-2H3,(H,27,28);3H,1-2H2,(H2,5,6)
• InChIKey: KHPPVTQDEDHKLF-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 243.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.59
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (CID 159136977) is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1ncn(C)n1.NC(=O)C1CC1.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?

The InChIKey is KHPPVTQDEDHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O3.C22H22ClF2N7O2.C4H7NO/c1-35-14-30-25(34-35)17-6-5-7-18(23(17)38-2)32-19-12-16(13-20(37)15-9-10-15)31-26-22(19)33-27(24(28)29)36(26)21-8-3-4-11-39-21;1-31-11-26-20(30-31)12-6-5-7-13(18(12)33-2)27-14-10-15(23)28-21-17(14)29-22(19(24)25)32(21)16-8-3-4-9-34-16;5-4(6)3-1-2-3/h5-7,12,14-15,21,24H,3-4,8-11,13H2,1-2H3,(H,31,32);5-7,10-11,16,19H,3-4,8-9H2,1-2H3,(H,27,28);3H,1-2H2,(H2,5,6).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?

5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone has a molecular weight of 1112.59 g/mol, XLogP of 10.29, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 159136977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).