N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide

C21H19FN4O — CID 140905836

IUPACN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CC12CCC2
InChIInChI=1S/C21H19FN4O/c22-17-13-16(7-11-23-17)26-12-8-18(25-26)24-19(27)21(14-20(21)9-4-10-20)15-5-2-1-3-6-15/h1-3,5-8,11-13H,4,9-10,14H2,(H,24,25,27)
InChIKeyOZDHOYVVNVEOIW-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide (PubChem CID 140905836) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide
PubChem CID140905836
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CC12CCC2
InChIInChI=1S/C21H19FN4O/c22-17-13-16(7-11-23-17)26-12-8-18(25-26)24-19(27)21(14-20(21)9-4-10-20)15-5-2-1-3-6-15/h1-3,5-8,11-13H,4,9-10,14H2,(H,24,25,27)
InChIKeyOZDHOYVVNVEOIW-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dichloro-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589233
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596083
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315834
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
CID 135315887
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596548
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide (CID 140905836) is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CC12CCC2.
What is the InChIKey of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide?
The InChIKey is OZDHOYVVNVEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-13-16(7-11-23-17)26-12-8-18(25-26)24-19(27)21(14-20(21)9-4-10-20)15-5-2-1-3-6-15/h1-3,5-8,11-13H,4,9-10,14H2,(H,24,25,27).
What are the key properties of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide?
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 140905836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).