1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide

C23H19FN4O2 — CID 58138824

IUPAC1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide
SMILESCCC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O2/c1-2-22(29)20-11-6-15(12-25-20)13-26-23(30)18-4-3-5-21-19(18)14-27-28(21)17-9-7-16(24)8-10-17/h3-12,14H,2,13H2,1H3,(H,26,30)
InChIKeyKPCQXDGMJNCUCB-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.08
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide (PubChem CID 58138824) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide
PubChem CID58138824
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide
SMILESCCC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O2/c1-2-22(29)20-11-6-15(12-25-20)13-26-23(30)18-4-3-5-21-19(18)14-27-28(21)17-9-7-16(24)8-10-17/h3-12,14H,2,13H2,1H3,(H,26,30)
InChIKeyKPCQXDGMJNCUCB-UHFFFAOYSA-N
XLogP4.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
Safimaltib
CID 134609793
c-Met Inhibitor D6808
CID 165437862
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
4-[4-fluoro-3-(2-pyridin-4-ylethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888923
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
N-Ethyl-2-methyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 24937934
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide (CID 58138824) is 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide is CCC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide?
The InChIKey is KPCQXDGMJNCUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-2-22(29)20-11-6-15(12-25-20)13-26-23(30)18-4-3-5-21-19(18)14-27-28(21)17-9-7-16(24)8-10-17/h3-12,14H,2,13H2,1H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(6-propanoyl-3-pyridinyl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).