4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one

C21H17FN4O — CID 143887698

IUPAC4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
SMILESC=C(NCc1cc[nH]c(=O)c1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c1-14(24-12-15-9-10-23-21(27)11-15)18-3-2-4-20-19(18)13-25-26(20)17-7-5-16(22)6-8-17/h2-11,13,24H,1,12H2,(H,23,27)
InChIKeyMPDGHFPGGIHYNK-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.61
Rot. Bonds5

About 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one

4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one (PubChem CID 143887698) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
PubChem CID143887698
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one
SMILESC=C(NCc1cc[nH]c(=O)c1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O/c1-14(24-12-15-9-10-23-21(27)11-15)18-3-2-4-20-19(18)13-25-26(20)17-7-5-16(22)6-8-17/h2-11,13,24H,1,12H2,(H,23,27)
InChIKeyMPDGHFPGGIHYNK-UHFFFAOYSA-N
XLogP3.61
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
4-[1-[(6-bromo-3-pyridinyl)methylamino]ethenyl]-1-(4-fluorophenyl)indazole-6-carbonitrile
CID 143887690
(Z)-2-[3-(dimethylamino)propylamino]-2-[1-(4-fluorophenyl)indazol-4-yl]ethenol;formaldehyde
CID 143887581
N-[3-amino-3-oxo-1-(6-oxo-1H-pyridin-3-yl)propyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 66917082
N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
CID 158165313
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one (CID 143887698) is 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one is C=C(NCc1cc[nH]c(=O)c1)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one?
The InChIKey is MPDGHFPGGIHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-14(24-12-15-9-10-23-21(27)11-15)18-3-2-4-20-19(18)13-25-26(20)17-7-5-16(22)6-8-17/h2-11,13,24H,1,12H2,(H,23,27).
What are the key properties of 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one?
4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one has a molecular weight of 360.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(4-fluorophenyl)indazol-4-yl]ethenylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 143887698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).