1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C25H39N5O3 — CID 55973835

About 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55973835) has the molecular formula C25H39N5O3 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
• PubChem CID: 55973835
• Molecular Formula: C25H39N5O3
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.31
• IUPAC Name: 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
• SMILES: COCCCNC(=O)C1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1
• InChI: InChI=1S/C25H39N5O3/c1-16(2)20-15-19(21-17(3)28-30(22(21)27-20)25(4,5)6)24(32)29-12-9-18(10-13-29)23(31)26-11-8-14-33-7/h15-16,18H,8-14H2,1-7H3,(H,26,31)
• InChIKey: GZWIJDYLNFACCU-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55973835) is 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1.

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

The InChIKey is GZWIJDYLNFACCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O3/c1-16(2)20-15-19(21-17(3)28-30(22(21)27-20)25(4,5)6)24(32)29-12-9-18(10-13-29)23(31)26-11-8-14-33-7/h15-16,18H,8-14H2,1-7H3,(H,26,31).

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

1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55973835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).