5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C24H27ClN6O3S — CID 134456081

About 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134456081) has the molecular formula C24H27ClN6O3S and a molecular weight of 515.04 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134456081
• Molecular Formula: C24H27ClN6O3S
• Molecular Weight: 515.04 g/mol
• Exact Mass: 514.16
• IUPAC Name: 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• SMILES: Cc1c(-c2ccc(Nc3cc(Cl)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)cnn1C
• InChI: InChI=1S/C24H27ClN6O3S/c1-14-17(13-26-30(14)3)16-8-9-18(20(11-16)35(4,32)33)28-19-12-21(25)29-24-23(19)27-15(2)31(24)22-7-5-6-10-34-22/h8-9,11-13,22H,5-7,10H2,1-4H3,(H,28,29)
• InChIKey: UQTDXIJINGUUEC-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.04
LogP ≤ 5	4.95
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 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134456081) is 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is Cc1c(-c2ccc(Nc3cc(Cl)nc4c3nc(C)n4C3CCCCO3)c(S(C)(=O)=O)c2)cnn1C.

What is the InChIKey of 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The InChIKey is UQTDXIJINGUUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3S/c1-14-17(13-26-30(14)3)16-8-9-18(20(11-16)35(4,32)33)28-19-12-21(25)29-24-23(19)27-15(2)31(24)22-7-5-6-10-34-22/h8-9,11-13,22H,5-7,10H2,1-4H3,(H,28,29).

What are the key properties of 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 515.04 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134456081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).