(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide

C23H34F2N6 — CID 169170357

IUPAC(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide
SMILESC=C(NC(/C=C\C)=N/c1cc(C2CCCC2)[nH]n1)NC1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C23H34F2N6/c1-4-7-20(28-21-12-19(29-30-21)17-8-5-6-9-17)27-16(2)26-18-10-11-22(14-31(3)15-22)23(24,25)13-18/h4,7,12,17-18,26H,2,5-6,8-11,13-15H2,1,3H3,(H2,27,28,29,30)/b7-4-
InChIKeyYGQRHSJRBVLYJE-DAXSKMNVSA-N
MW432.56 g/mol
LogP4.44
Rot. Bonds6

About (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide

(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide (PubChem CID 169170357) has the molecular formula C23H34F2N6 and a molecular weight of 432.56 g/mol. Its IUPAC name is (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide
PubChem CID169170357
Molecular FormulaC23H34F2N6
Molecular Weight432.56 g/mol
Exact Mass432.28
IUPAC Name(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide
SMILESC=C(NC(/C=C\C)=N/c1cc(C2CCCC2)[nH]n1)NC1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C23H34F2N6/c1-4-7-20(28-21-12-19(29-30-21)17-8-5-6-9-17)27-16(2)26-18-10-11-22(14-31(3)15-22)23(24,25)13-18/h4,7,12,17-18,26H,2,5-6,8-11,13-15H2,1,3H3,(H2,27,28,29,30)/b7-4-
InChIKeyYGQRHSJRBVLYJE-DAXSKMNVSA-N
XLogP4.44
TPSA68.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide with MolForge

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Related Compounds

(Z)-N-[(Z)-1-chloropent-1-enyl]-N'-(5-cyclopentyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 169160053
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[3-ethyl-3-(2-methylbutyl)azetidin-1-yl]but-1-enyl]but-2-enimidamide
CID 174102989
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
3-cyclopropyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123150480
1-[4-[3-[5-[(S)-(3-fluoro-1-methylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 166525414
N-[(4-aminoanilino)-(methylideneamino)methylidene]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)propanimidamide
CID 123571494
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
CID 169170079
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-[methyl-[3-(methylamino)propyl]amino]pent-1-enyl]but-2-enimidamide;ethene
CID 169170308
[(2R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylpyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 129114606
5-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carbaldehyde
CID 115092267
5-(3-ethyl-3-propylcyclopentyl)-3-(1-fluorocyclopropyl)-1H-pyrazole
CID 155064282
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide?
The IUPAC name of (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide (CID 169170357) is (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide?
The canonical SMILES for (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide is C=C(NC(/C=C\C)=N/c1cc(C2CCCC2)[nH]n1)NC1CCC2(CN(C)C2)C(F)(F)C1.
What is the InChIKey of (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide?
The InChIKey is YGQRHSJRBVLYJE-DAXSKMNVSA-N. The full InChI is InChI=1S/C23H34F2N6/c1-4-7-20(28-21-12-19(29-30-21)17-8-5-6-9-17)27-16(2)26-18-10-11-22(14-31(3)15-22)23(24,25)13-18/h4,7,12,17-18,26H,2,5-6,8-11,13-15H2,1,3H3,(H2,27,28,29,30)/b7-4-.
What are the key properties of (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide?
(Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide has a molecular weight of 432.56 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(5-cyclopentyl-1H-pyrazol-3-yl)-N-[1-[(5,5-difluoro-2-methyl-2-azaspiro[3.5]nonan-7-yl)amino]ethenyl]but-2-enimidamide is sourced from PubChem (CID 169170357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).