N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

C27H30N6O3 — CID 30087541

About N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 30087541) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
• PubChem CID: 30087541
• Molecular Formula: C27H30N6O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.24
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1
• InChI: InChI=1S/C27H30N6O3/c1-16(2)33-25-22(15-28-33)21(14-23(29-25)19-7-5-17(3)6-8-19)27(35)32-11-9-20(10-12-32)26(34)30-24-13-18(4)36-31-24/h5-8,13-16,20H,9-12H2,1-4H3,(H,30,31,34)
• InChIKey: PMVRZMLDXZJEIX-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (CID 30087541) is N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c3cnn(C(C)C)c3n2)cc1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

The InChIKey is PMVRZMLDXZJEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-16(2)33-25-22(15-28-33)21(14-23(29-25)19-7-5-17(3)6-8-19)27(35)32-11-9-20(10-12-32)26(34)30-24-13-18(4)36-31-24/h5-8,13-16,20H,9-12H2,1-4H3,(H,30,31,34).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?

N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 30087541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).