methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C24H34N6O6S2 — CID 87616634

About methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 87616634) has the molecular formula C24H34N6O6S2 and a molecular weight of 566.71 g/mol. Its IUPAC name is methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
• PubChem CID: 87616634
• Molecular Formula: C24H34N6O6S2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.20
• IUPAC Name: methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
• SMILES: CC(C)Cn1c(N)nc2ccc(-c3cn(C(C)C)nc3-c3ccccc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O
• InChI: InChI=1S/C22H26N6.2CH4O3S/c1-14(2)12-27-21-19(25-22(27)23)11-10-18(24-21)17-13-28(15(3)4)26-20(17)16-8-6-5-7-9-16;2*1-5(2,3)4/h5-11,13-15H,12H2,1-4H3,(H2,23,25);2*1H3,(H,2,3,4)
• InChIKey: YHNOHWLBZXMLAD-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 183.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The IUPAC name of methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 87616634) is methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is CC(C)Cn1c(N)nc2ccc(-c3cn(C(C)C)nc3-c3ccccc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O.

What is the InChIKey of methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The InChIKey is YHNOHWLBZXMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.2CH4O3S/c1-14(2)12-27-21-19(25-22(27)23)11-10-18(24-21)17-13-28(15(3)4)26-20(17)16-8-6-5-7-9-16;2*1-5(2,3)4/h5-11,13-15H,12H2,1-4H3,(H2,23,25);2*1H3,(H,2,3,4).

What are the key properties of methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 566.71 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methanesulfonic acid;3-(2-methylpropyl)-5-(3-phenyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 87616634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).