tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate

C24H37N5O3 — CID 60547590

About tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate (PubChem CID 60547590) has the molecular formula C24H37N5O3 and a molecular weight of 443.59 g/mol. Its IUPAC name is tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate
• PubChem CID: 60547590
• Molecular Formula: C24H37N5O3
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.29
• IUPAC Name: tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate
• SMILES: CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C24H37N5O3/c1-15(2)20-13-18(19-14-25-29(16(3)4)21(19)26-20)22(30)27(8)17-9-11-28(12-10-17)23(31)32-24(5,6)7/h13-17H,9-12H2,1-8H3
• InChIKey: RVNGXQQDIMUZFP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 80.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate (CID 60547590) is tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate is CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c2cnn(C(C)C)c2n1.

What is the InChIKey of tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate?

The InChIKey is RVNGXQQDIMUZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3/c1-15(2)20-13-18(19-14-25-29(16(3)4)21(19)26-20)22(30)27(8)17-9-11-28(12-10-17)23(31)32-24(5,6)7/h13-17H,9-12H2,1-8H3.

What are the key properties of tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate?

tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate has a molecular weight of 443.59 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 60547590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).