N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide

C82H99ClF6N24O9S3 — CID 157384535

About N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 157384535) has the molecular formula C82H99ClF6N24O9S3 and a molecular weight of 1810.49 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 157384535
• Molecular Formula: C82H99ClF6N24O9S3
• Molecular Weight: 1810.49 g/mol
• Exact Mass: 1808.68
• IUPAC Name: N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1nc(-c2ccc(Nc3cc(CCC4CC4)nc4c3N=C(C(F)F)C4)c(N(C)S(C)(=O)=O)c2)n(C)n1.Cc1nc(-c2ccc(Nc3cc(CCC4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(N(C)S(C)(=O)=O)c2)n(C)n1.Cc1nc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(N(C)S(C)(=O)=O)c2)n(C)n1.NC(=O)C1CC1
• InChI: InChI=1S/C29H36F2N8O3S.C25H29F2N7O2S.C24H27ClF2N8O3S.C4H7NO/c1-17-32-27(37(2)36-17)19-11-13-21(23(15-19)38(3)43(4,40)41)34-22-16-20(12-10-18-8-9-18)33-28-25(22)35-29(26(30)31)39(28)24-7-5-6-14-42-24;1-14-28-25(33(2)32-14)16-8-10-18(22(11-16)34(3)37(4,35)36)30-19-12-17(9-7-15-5-6-15)29-20-13-21(24(26)27)31-23(19)20;1-13-28-22(33(2)32-13)14-8-9-15(17(11-14)34(3)39(4,36)37)29-16-12-18(25)30-23-20(16)31-24(21(26)27)35(23)19-7-5-6-10-38-19;5-4(6)3-1-2-3/h11,13,15-16,18,24,26H,5-10,12,14H2,1-4H3,(H,33,34);8,10-12,15,24H,5-7,9,13H2,1-4H3,(H,29,30);8-9,11-12,19,21H,5-7,10H2,1-4H3,(H,29,30);3H,1-2H2,(H2,5,6)
• InChIKey: BLGTVUXCJJYBQS-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 388.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.49
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide (CID 157384535) is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide is Cc1nc(-c2ccc(Nc3cc(CCC4CC4)nc4c3N=C(C(F)F)C4)c(N(C)S(C)(=O)=O)c2)n(C)n1.Cc1nc(-c2ccc(Nc3cc(CCC4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(N(C)S(C)(=O)=O)c2)n(C)n1.Cc1nc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(N(C)S(C)(=O)=O)c2)n(C)n1.NC(=O)C1CC1.

What is the InChIKey of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is BLGTVUXCJJYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N8O3S.C25H29F2N7O2S.C24H27ClF2N8O3S.C4H7NO/c1-17-32-27(37(2)36-17)19-11-13-21(23(15-19)38(3)43(4,40)41)34-22-16-20(12-10-18-8-9-18)33-28-25(22)35-29(26(30)31)39(28)24-7-5-6-14-42-24;1-14-28-25(33(2)32-14)16-8-10-18(22(11-16)34(3)37(4,35)36)30-19-12-17(9-7-15-5-6-15)29-20-13-21(24(26)27)31-23(19)20;1-13-28-22(33(2)32-13)14-8-9-15(17(11-14)34(3)39(4,36)37)29-16-12-18(25)30-23-20(16)31-24(21(26)27)35(23)19-7-5-6-10-38-19;5-4(6)3-1-2-3/h11,13,15-16,18,24,26H,5-10,12,14H2,1-4H3,(H,33,34);8,10-12,15,24H,5-7,9,13H2,1-4H3,(H,29,30);8-9,11-12,19,21H,5-7,10H2,1-4H3,(H,29,30);3H,1-2H2,(H2,5,6).

What are the key properties of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 1810.49 g/mol, XLogP of 15.06, 27 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide;N-[2-[[5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157384535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).