7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide

C22H32F2N4O2 — CID 88895198

IUPAC7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESC#CCNC(=O)[C@H](CC(F)(F)CC1CC1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C22H32F2N4O2/c1-2-9-25-19(29)18(13-22(23,24)12-16-3-4-16)26-20(30)28-14-21(15-28)7-10-27(11-8-21)17-5-6-17/h1,16-18H,3-15H2,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyPSAIOZJPWUMROO-SFHVURJKSA-N
MW422.52 g/mol
LogP2.20
Rot. Bonds8

About 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 88895198) has the molecular formula C22H32F2N4O2 and a molecular weight of 422.52 g/mol. Its IUPAC name is 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID88895198
Molecular FormulaC22H32F2N4O2
Molecular Weight422.52 g/mol
Exact Mass422.25
IUPAC Name7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESC#CCNC(=O)[C@H](CC(F)(F)CC1CC1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C22H32F2N4O2/c1-2-9-25-19(29)18(13-22(23,24)12-16-3-4-16)26-20(30)28-14-21(15-28)7-10-27(11-8-21)17-5-6-17/h1,16-18H,3-15H2,(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyPSAIOZJPWUMROO-SFHVURJKSA-N
XLogP2.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 88895198) is 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide is C#CCNC(=O)[C@H](CC(F)(F)CC1CC1)NC(=O)N1CC2(CCN(C3CC3)CC2)C1.
What is the InChIKey of 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is PSAIOZJPWUMROO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32F2N4O2/c1-2-9-25-19(29)18(13-22(23,24)12-16-3-4-16)26-20(30)28-14-21(15-28)7-10-27(11-8-21)17-5-6-17/h1,16-18H,3-15H2,(H,25,29)(H,26,30)/t18-/m0/s1.
What are the key properties of 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 422.52 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-[(2S)-5-cyclopropyl-4,4-difluoro-1-oxo-1-(prop-2-ynylamino)pentan-2-yl]-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 88895198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).