8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H16F2N4O — CID 22291829

IUPAC8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC1Cc2c(C(N)=O)nn(-c3ccc(F)cc3F)c2-c2cc(N)ccc21
InChIInChI=1S/C19H16F2N4O/c1-9-6-14-17(19(23)26)24-25(16-5-2-10(20)7-15(16)21)18(14)13-8-11(22)3-4-12(9)13/h2-5,7-9H,6,22H2,1H3,(H2,23,26)
InChIKeyJHXDQNDEKRYTNN-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.16
Rot. Bonds2

About 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291829) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291829
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCC1Cc2c(C(N)=O)nn(-c3ccc(F)cc3F)c2-c2cc(N)ccc21
InChIInChI=1S/C19H16F2N4O/c1-9-6-14-17(19(23)26)24-25(16-5-2-10(20)7-15(16)21)18(14)13-8-11(22)3-4-12(9)13/h2-5,7-9H,6,22H2,1H3,(H2,23,26)
InChIKeyJHXDQNDEKRYTNN-UHFFFAOYSA-N
XLogP3.16
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-8-amino-1-(4-fluorophenyl)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide;8-amino-1-(4-fluorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 159459223
(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166298629
2-(6-fluoro-3-methyl-2,3-dihydroinden-1-ylidene)propanamide
CID 67741184
(1R,8R)-3-(2,4-difluorophenyl)-9,9-dimethyl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylic acid
CID 69246949
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
ethyl 3-(2,4-difluorophenyl)-10-methyl-11-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-5-carboxylate
CID 59450302
3-(2,4-difluorophenyl)-1-ethyl-3,4-diazatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylic acid
CID 67029774
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
(5-amino-2,3-dihydroindol-1-yl)-[1-(2,4-difluorophenyl)pyrazol-4-yl]methanone
CID 142623956
1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043
7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968629
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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291829) is 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is CC1Cc2c(C(N)=O)nn(-c3ccc(F)cc3F)c2-c2cc(N)ccc21.
What is the InChIKey of 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is JHXDQNDEKRYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-9-6-14-17(19(23)26)24-25(16-5-2-10(20)7-15(16)21)18(14)13-8-11(22)3-4-12(9)13/h2-5,7-9H,6,22H2,1H3,(H2,23,26).
What are the key properties of 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(2,4-difluorophenyl)-5-methyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).