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

C24H28ClN7O3S — CID 134455854

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

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 134455854) has the molecular formula C24H28ClN7O3S and a molecular weight of 530.05 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 134455854
• Molecular Formula: C24H28ClN7O3S
• Molecular Weight: 530.05 g/mol
• Exact Mass: 529.17
• IUPAC Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1
• InChI: InChI=1S/C24H28ClN7O3S/c1-15-27-23-19(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-18-9-8-16(17-13-26-30(2)14-17)11-20(18)31(3)36(4,33)34/h8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29)
• InChIKey: AYKFREFMDYCQRG-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 107.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.05
LogP ≤ 5	4.63
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-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 134455854) is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

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

The canonical SMILES for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.

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

The InChIKey is AYKFREFMDYCQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O3S/c1-15-27-23-19(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-18-9-8-16(17-13-26-30(2)14-17)11-20(18)31(3)36(4,33)34/h8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29).

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

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 530.05 g/mol, XLogP of 4.63, 6 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-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).