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

C23H29ClN6O3S — CID 134456646

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

N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134456646) has the molecular formula C23H29ClN6O3S and a molecular weight of 505.04 g/mol. Its IUPAC name is N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 134456646
• Molecular Formula: C23H29ClN6O3S
• Molecular Weight: 505.04 g/mol
• Exact Mass: 504.17
• IUPAC Name: N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1nc2c(Nc3ccc(N4CCC4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1
• InChI: InChI=1S/C23H29ClN6O3S/c1-15-25-22-18(14-20(24)27-23(22)30(15)21-7-4-5-12-33-21)26-17-9-8-16(29-10-6-11-29)13-19(17)28(2)34(3,31)32/h8-9,13-14,21H,4-7,10-12H2,1-3H3,(H,26,27)
• InChIKey: UYOYDSYUDIIJGX-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.04
LogP ≤ 5	4.44
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 N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134456646) is N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is Cc1nc2c(Nc3ccc(N4CCC4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.

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

The InChIKey is UYOYDSYUDIIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O3S/c1-15-25-22-18(14-20(24)27-23(22)30(15)21-7-4-5-12-33-21)26-17-9-8-16(29-10-6-11-29)13-19(17)28(2)34(3,31)32/h8-9,13-14,21H,4-7,10-12H2,1-3H3,(H,26,27).

What are the key properties of N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?

N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 505.04 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(azetidin-1-yl)-2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134456646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).