N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C23H33F2N5O2 — CID 76654390

IUPACN-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESN#CC1(NC(=O)C(CC(F)(F)CC2CC2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1
InChIInChI=1S/C23H33F2N5O2/c24-23(25,11-16-1-2-16)12-18(19(31)28-22(13-26)5-6-22)27-20(32)30-14-21(15-30)7-9-29(10-8-21)17-3-4-17/h16-18H,1-12,14-15H2,(H,27,32)(H,28,31)
InChIKeyPYSMFLNHCILEHS-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.62
Rot. Bonds8

About N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 76654390) has the molecular formula C23H33F2N5O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID76654390
Molecular FormulaC23H33F2N5O2
Molecular Weight449.55 g/mol
Exact Mass449.26
IUPAC NameN-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESN#CC1(NC(=O)C(CC(F)(F)CC2CC2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1
InChIInChI=1S/C23H33F2N5O2/c24-23(25,11-16-1-2-16)12-18(19(31)28-22(13-26)5-6-22)27-20(32)30-14-21(15-30)7-9-29(10-8-21)17-3-4-17/h16-18H,1-12,14-15H2,(H,27,32)(H,28,31)
InChIKeyPYSMFLNHCILEHS-UHFFFAOYSA-N
XLogP2.62
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide with MolForge

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Related Compounds

N-[1-(cyanomethylamino)-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654345
N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-5-(4-fluorophenyl)-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654348
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
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 24992541
N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-1-oxo-5-pyridin-4-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654330
N-[1-[(1-cyanocyclopropyl)amino]-5,5-difluoro-5-(2-fluorophenyl)-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654360
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
(2-cyclopropyl-2,7-diazaspiro[3.5]nonan-7-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]carbamate
CID 91304319
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]carbamate
CID 90727678
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 23624314
2-[3-[[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]carbamoyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 76654382
(7-cyclopropyl-2,7-diazaspiro[3.5]nonan-2-yl) N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxo-5-pyridin-2-ylpentan-2-yl]carbamate
CID 91341597

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 76654390) is N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is N#CC1(NC(=O)C(CC(F)(F)CC2CC2)NC(=O)N2CC3(CCN(C4CC4)CC3)C2)CC1.
What is the InChIKey of N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is PYSMFLNHCILEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N5O2/c24-23(25,11-16-1-2-16)12-18(19(31)28-22(13-26)5-6-22)27-20(32)30-14-21(15-30)7-9-29(10-8-21)17-3-4-17/h16-18H,1-12,14-15H2,(H,27,32)(H,28,31).
What are the key properties of N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyanocyclopropyl)amino]-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 76654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).