N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide

C26H22FN7O4 — CID 178011940

IUPACN-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide
SMILESCOc1cc(-n2cnn(C)c2=O)ccc1-c1ccc2c(c(C(=O)Nc3cccc(C(N)=O)c3)nn2C)c1F
InChIInChI=1S/C26H22FN7O4/c1-32-19-10-9-18(17-8-7-16(12-20(17)38-3)34-13-29-33(2)26(34)37)22(27)21(19)23(31-32)25(36)30-15-6-4-5-14(11-15)24(28)35/h4-13H,1-3H3,(H2,28,35)(H,30,36)
InChIKeyICXWNIQMGAPIGD-UHFFFAOYSA-N
MW515.51 g/mol
LogP2.62
Rot. Bonds6

About N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide

N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide (PubChem CID 178011940) has the molecular formula C26H22FN7O4 and a molecular weight of 515.51 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide
PubChem CID178011940
Molecular FormulaC26H22FN7O4
Molecular Weight515.51 g/mol
Exact Mass515.17
IUPAC NameN-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide
SMILESCOc1cc(-n2cnn(C)c2=O)ccc1-c1ccc2c(c(C(=O)Nc3cccc(C(N)=O)c3)nn2C)c1F
InChIInChI=1S/C26H22FN7O4/c1-32-19-10-9-18(17-8-7-16(12-20(17)38-3)34-13-29-33(2)26(34)37)22(27)21(19)23(31-32)25(36)30-15-6-4-5-14(11-15)24(28)35/h4-13H,1-3H3,(H2,28,35)(H,30,36)
InChIKeyICXWNIQMGAPIGD-UHFFFAOYSA-N
XLogP2.62
TPSA139.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
CID 178011936
4-[4-[3-(3-aminopyrazole-1-carbonyl)-4-fluoro-1-methylindazol-5-yl]phenyl]-2-methyl-1,2,4-triazol-3-one
CID 178011948
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
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1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
3-(4-methoxyphenyl)-5-methyl-N-(3-methylsulfanylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856075
2-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836281
3-[3-[2-ethyl-6-fluoro-3-[5-(1-methyl-5-oxo-1,2,4-triazol-4-yl)-2-pyridinyl]phenyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109200
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-(3-carbamoyl-2-fluorophenyl)-3-ethyl-2-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-6-(trifluoromethyl)benzimidazole-4-carboxamide
CID 174251878
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide (CID 178011940) is N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide is COc1cc(-n2cnn(C)c2=O)ccc1-c1ccc2c(c(C(=O)Nc3cccc(C(N)=O)c3)nn2C)c1F.
What is the InChIKey of N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide?
The InChIKey is ICXWNIQMGAPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O4/c1-32-19-10-9-18(17-8-7-16(12-20(17)38-3)34-13-29-33(2)26(34)37)22(27)21(19)23(31-32)25(36)30-15-6-4-5-14(11-15)24(28)35/h4-13H,1-3H3,(H2,28,35)(H,30,36).
What are the key properties of N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide?
N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide has a molecular weight of 515.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-fluoro-5-[2-methoxy-4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 178011940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).