N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide

C24H26ClF2N7O3S — CID 134456413

About N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 134456413) has the molecular formula C24H26ClF2N7O3S and a molecular weight of 566.03 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-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 134456413
• Molecular Formula: C24H26ClF2N7O3S
• Molecular Weight: 566.03 g/mol
• Exact Mass: 565.15
• IUPAC Name: N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: CN(c1cc(-c2ccn(C)n2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
• InChI: InChI=1S/C24H26ClF2N7O3S/c1-32-10-9-15(31-32)14-7-8-16(18(12-14)33(2)38(3,35)36)28-17-13-19(25)29-23-21(17)30-24(22(26)27)34(23)20-6-4-5-11-37-20/h7-10,12-13,20,22H,4-6,11H2,1-3H3,(H,28,29)
• InChIKey: MQNYMNJJNGHISV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 107.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.03
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide (CID 134456413) is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(-c2ccn(C)n2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O.

What is the InChIKey of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is MQNYMNJJNGHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N7O3S/c1-32-10-9-15(31-32)14-7-8-16(18(12-14)33(2)38(3,35)36)28-17-13-19(25)29-23-21(17)30-24(22(26)27)34(23)20-6-4-5-11-37-20/h7-10,12-13,20,22H,4-6,11H2,1-3H3,(H,28,29).

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-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 566.03 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134456413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).