tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid

C30H34N8O2 — CID 155267238

About tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid

tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid (PubChem CID 155267238) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid
• PubChem CID: 155267238
• Molecular Formula: C30H34N8O2
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.28
• IUPAC Name: tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC5(CC4)CC(N(C(=O)O)C(C)(C)C)C5)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C30H34N8O2/c1-29(2,3)38(28(39)40)24-12-30(13-24)7-9-36(10-8-30)26-6-5-20(15-32-26)25-11-21(23-17-33-35(4)18-23)19-37-27(25)22(14-31)16-34-37/h5-6,11,15-19,24H,7-10,12-13H2,1-4H3,(H,39,40)
• InChIKey: FHCCQAPPMFTVFD-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 115.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid?

The IUPAC name of tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid (CID 155267238) is tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid.

What is the SMILES notation for tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid?

The canonical SMILES for tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid is Cn1cc(-c2cc(-c3ccc(N4CCC5(CC4)CC(N(C(=O)O)C(C)(C)C)C5)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid?

The InChIKey is FHCCQAPPMFTVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-29(2,3)38(28(39)40)24-12-30(13-24)7-9-36(10-8-30)26-6-5-20(15-32-26)25-11-21(23-17-33-35(4)18-23)19-37-27(25)22(14-31)16-34-37/h5-6,11,15-19,24H,7-10,12-13H2,1-4H3,(H,39,40).

What are the key properties of tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid?

tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid has a molecular weight of 538.66 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[7-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]carbamic acid is sourced from PubChem (CID 155267238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).