4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide

C25H30N8O3 — CID 157041892

About 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 157041892) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide
• PubChem CID: 157041892
• Molecular Formula: C25H30N8O3
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.24
• IUPAC Name: 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2)ccn1
• InChI: InChI=1S/C25H30N8O3/c1-25(2,3)20-12-21(31-33(20)15-7-9-35-14-15)29-24-30-22-19(32(24)5)11-17(13-28-22)36-16-6-8-27-18(10-16)23(34)26-4/h6,8,10-13,15H,7,9,14H2,1-5H3,(H,26,34)(H,28,29,30,31)
• InChIKey: PEUGCFWHVZEFDC-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 157041892) is 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2)ccn1.

What is the InChIKey of 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide?

The InChIKey is PEUGCFWHVZEFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-25(2,3)20-12-21(31-33(20)15-7-9-35-14-15)29-24-30-22-19(32(24)5)11-17(13-28-22)36-16-6-8-27-18(10-16)23(34)26-4/h6,8,10-13,15H,7,9,14H2,1-5H3,(H,26,34)(H,28,29,30,31).

What are the key properties of 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide?

4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 157041892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).