[1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate

C32H39N9O3 — CID 138591024

About [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate

[1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate (PubChem CID 138591024) has the molecular formula C32H39N9O3 and a molecular weight of 597.72 g/mol. Its IUPAC name is [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate
• PubChem CID: 138591024
• Molecular Formula: C32H39N9O3
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.32
• IUPAC Name: [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(OC(=O)NC(C)(C)C)C(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C32H39N9O3/c1-31(2,3)28(44-30(43)37-32(4,5)6)29(42)40-12-10-39(11-13-40)26-9-8-21(16-34-26)25-14-22(24-18-35-38(7)19-24)20-41-27(25)23(15-33)17-36-41/h8-9,14,16-20,28H,10-13H2,1-7H3,(H,37,43)
• InChIKey: HCRHPWBQLLWCDI-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 133.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate?

The IUPAC name of [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate (CID 138591024) is [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate.

What is the SMILES notation for [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate?

The canonical SMILES for [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(OC(=O)NC(C)(C)C)C(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate?

The InChIKey is HCRHPWBQLLWCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O3/c1-31(2,3)28(44-30(43)37-32(4,5)6)29(42)40-12-10-39(11-13-40)26-9-8-21(16-34-26)25-14-22(24-18-35-38(7)19-24)20-41-27(25)23(15-33)17-36-41/h8-9,14,16-20,28H,10-13H2,1-7H3,(H,37,43).

What are the key properties of [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate?

[1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate has a molecular weight of 597.72 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 138591024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).