N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide

C21H17F3N4O — CID 135316097

IUPACN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
SMILESCc1cc(NC(=O)C2(c3ncccc3F)CC23CC3)nn1-c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N4O/c1-12-9-17(27-28(12)16-5-4-13(22)10-15(16)24)26-19(29)21(11-20(21)6-7-20)18-14(23)3-2-8-25-18/h2-5,8-10H,6-7,11H2,1H3,(H,26,27,29)
InChIKeyJGTCSBHVLDQPEW-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide

N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide (PubChem CID 135316097) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
PubChem CID135316097
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
SMILESCc1cc(NC(=O)C2(c3ncccc3F)CC23CC3)nn1-c1ccc(F)cc1F
InChIInChI=1S/C21H17F3N4O/c1-12-9-17(27-28(12)16-5-4-13(22)10-15(16)24)26-19(29)21(11-20(21)6-7-20)18-14(23)3-2-8-25-18/h2-5,8-10H,6-7,11H2,1H3,(H,26,27,29)
InChIKeyJGTCSBHVLDQPEW-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 70975195
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CID 42880596
1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 75470170
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
3-[[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122093689
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CID 99625384
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
N-[(Z)-1-amino-3-(2,4-difluoroanilino)but-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide (CID 135316097) is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide is Cc1cc(NC(=O)C2(c3ncccc3F)CC23CC3)nn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide?
The InChIKey is JGTCSBHVLDQPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c1-12-9-17(27-28(12)16-5-4-13(22)10-15(16)24)26-19(29)21(11-20(21)6-7-20)18-14(23)3-2-8-25-18/h2-5,8-10H,6-7,11H2,1H3,(H,26,27,29).
What are the key properties of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide?
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 135316097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).