3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide

C25H27F4N3O2 — CID 163400249

IUPAC3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F4N3O2/c1-14(2)15-4-6-20(7-5-15)32-13-17-10-22(23(34-3)12-21(17)31-32)30-24(33)16-8-18(25(27,28)29)11-19(26)9-16/h8-15,20H,4-7H2,1-3H3,(H,30,33)
InChIKeyINSHFZRDKAUWPP-UHFFFAOYSA-N
MW477.50 g/mol
LogP6.84
Rot. Bonds5

About 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide (PubChem CID 163400249) has the molecular formula C25H27F4N3O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
PubChem CID163400249
Molecular FormulaC25H27F4N3O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC Name3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F4N3O2/c1-14(2)15-4-6-20(7-5-15)32-13-17-10-22(23(34-3)12-21(17)31-32)30-24(33)16-8-18(25(27,28)29)11-19(26)9-16/h8-15,20H,4-7H2,1-3H3,(H,30,33)
InChIKeyINSHFZRDKAUWPP-UHFFFAOYSA-N
XLogP6.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
CID 167156200
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
N-[2-[4-(diiodomethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 155448855
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 155437771

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide (CID 163400249) is 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide is COc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is INSHFZRDKAUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O2/c1-14(2)15-4-6-20(7-5-15)32-13-17-10-22(23(34-3)12-21(17)31-32)30-24(33)16-8-18(25(27,28)29)11-19(26)9-16/h8-15,20H,4-7H2,1-3H3,(H,30,33).
What are the key properties of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 477.50 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 163400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).