2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide

C23H29FN4O — CID 118939674

IUPAC2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide
SMILESCc1nn(-c2cc(F)c(C(N)=O)c(NC3CCCCC3)c2)c2c1C=CC(C)(C)C2
InChIInChI=1S/C23H29FN4O/c1-14-17-9-10-23(2,3)13-20(17)28(27-14)16-11-18(24)21(22(25)29)19(12-16)26-15-7-5-4-6-8-15/h9-12,15,26H,4-8,13H2,1-3H3,(H2,25,29)
InChIKeyRTKKNKWOFBAPPR-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.76
Rot. Bonds4

About 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide

2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide (PubChem CID 118939674) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide
PubChem CID118939674
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide
SMILESCc1nn(-c2cc(F)c(C(N)=O)c(NC3CCCCC3)c2)c2c1C=CC(C)(C)C2
InChIInChI=1S/C23H29FN4O/c1-14-17-9-10-23(2,3)13-20(17)28(27-14)16-11-18(24)21(22(25)29)19(12-16)26-15-7-5-4-6-8-15/h9-12,15,26H,4-8,13H2,1-3H3,(H2,25,29)
InChIKeyRTKKNKWOFBAPPR-UHFFFAOYSA-N
XLogP4.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[[(1S,2S)-2-hydroxycyclopentyl]amino]-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide
CID 118939219
[2-[2-carbamoyl-3-fluoro-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]cyclopentyl] 2-aminoacetate
CID 68720581
[4-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)-3-fluoroanilino]cyclohexyl] 2-aminoacetate
CID 118939206
2-[[4-(2,2-dimethylpropylamino)cyclohexyl]amino]-4-(3-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)-6-fluorobenzamide
CID 118939457
[4-[2-carbamoyl-3-fluoro-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]oxolan-2-yl] 3-acetyloxy-4-(dimethylamino)butanoate
CID 118518400
cyclopentyl 2-amino-2-[2-carbamoyl-5-(3-ethyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)-3-fluoroanilino]acetate
CID 68720978
[2-acetyloxy-4-[6-[2-carbamoyl-3-fluoro-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]-7-oxoazepan-3-yl]oxy-4-oxobutyl]-trimethylazanium
CID 118511646
2-[[(3S,4R)-3,4-dihydroxycyclohexyl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952622
[(1S,2S)-2-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-fluoroanilino]cyclopentyl] 2-aminoacetate
CID 59828672
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
2-(2,2-dimethoxyethylamino)-4-(3-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-1-yl)-6-fluorobenzamide
CID 118939319

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide?
The IUPAC name of 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide (CID 118939674) is 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide?
The canonical SMILES for 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide is Cc1nn(-c2cc(F)c(C(N)=O)c(NC3CCCCC3)c2)c2c1C=CC(C)(C)C2.
What is the InChIKey of 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide?
The InChIKey is RTKKNKWOFBAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-14-17-9-10-23(2,3)13-20(17)28(27-14)16-11-18(24)21(22(25)29)19(12-16)26-15-7-5-4-6-8-15/h9-12,15,26H,4-8,13H2,1-3H3,(H2,25,29).
What are the key properties of 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide?
2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-6-fluoro-4-(3,6,6-trimethyl-7H-indazol-1-yl)benzamide is sourced from PubChem (CID 118939674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).