N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

C32H45N5O4 — CID 145329481

About N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 145329481) has the molecular formula C32H45N5O4 and a molecular weight of 563.74 g/mol. Its IUPAC name is N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
• PubChem CID: 145329481
• Molecular Formula: C32H45N5O4
• Molecular Weight: 563.74 g/mol
• Exact Mass: 563.35
• IUPAC Name: N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
• SMILES: COc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CC3(CCC3)C2)CC(=O)NC2CCC2)nn1C1CCCC1
• InChI: InChI=1S/C32H45N5O4/c1-40-27-12-6-13-28(41-2)30(27)26-19-25(35-37(26)24-10-3-4-11-24)31(39)34-23(18-29(38)33-22-8-5-9-22)14-17-36-20-32(21-36)15-7-16-32/h6,12-13,19,22-24H,3-5,7-11,14-18,20-21H2,1-2H3,(H,33,38)(H,34,39)
• InChIKey: OZESNXBWZRLYFI-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.74
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The IUPAC name of N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (CID 145329481) is N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The canonical SMILES for N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is COc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CC3(CCC3)C2)CC(=O)NC2CCC2)nn1C1CCCC1.

What is the InChIKey of N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The InChIKey is OZESNXBWZRLYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O4/c1-40-27-12-6-13-28(41-2)30(27)26-19-25(35-37(26)24-10-3-4-11-24)31(39)34-23(18-29(38)33-22-8-5-9-22)14-17-36-20-32(21-36)15-7-16-32/h6,12-13,19,22-24H,3-5,7-11,14-18,20-21H2,1-2H3,(H,33,38)(H,34,39).

What are the key properties of N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 563.74 g/mol, XLogP of 4.72, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-azaspiro[3.3]heptan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 145329481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).