N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C30H38F3N5O3 — CID 129226549

About N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 129226549) has the molecular formula C30H38F3N5O3 and a molecular weight of 573.66 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 129226549
• Molecular Formula: C30H38F3N5O3
• Molecular Weight: 573.66 g/mol
• Exact Mass: 573.29
• IUPAC Name: N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• SMILES: O=C(C[C@H](CCN1CC2(COC2)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1
• InChI: InChI=1S/C30H38F3N5O3/c31-30(32,33)24-11-4-3-10-23(24)26-15-25(36-38(26)22-8-1-2-9-22)28(40)35-21(14-27(39)34-20-6-5-7-20)12-13-37-16-29(17-37)18-41-19-29/h3-4,10-11,15,20-22H,1-2,5-9,12-14,16-19H2,(H,34,39)(H,35,40)/t21-/m0/s1
• InChIKey: LPWZUBREIBTPHZ-NRFANRHFSA-N
• XLogP: 4.56
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.66
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 129226549) is N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

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

The canonical SMILES for N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is O=C(C[C@H](CCN1CC2(COC2)C1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)NC1CCC1.

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

The InChIKey is LPWZUBREIBTPHZ-NRFANRHFSA-N. The full InChI is InChI=1S/C30H38F3N5O3/c31-30(32,33)24-11-4-3-10-23(24)26-15-25(36-38(26)22-8-1-2-9-22)28(40)35-21(14-27(39)34-20-6-5-7-20)12-13-37-16-29(17-37)18-41-19-29/h3-4,10-11,15,20-22H,1-2,5-9,12-14,16-19H2,(H,34,39)(H,35,40)/t21-/m0/s1.

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

N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 573.66 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(cyclobutylamino)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).