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

C24H28FN3O2 — CID 167375489

IUPAC4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-15(2)16-6-10-20(11-7-16)28-14-18-12-22(23(30-3)13-21(18)27-28)26-24(29)17-4-8-19(25)9-5-17/h4-5,8-9,12-16,20H,6-7,10-11H2,1-3H3,(H,26,29)
InChIKeyAGJNXYQAXAPZBQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.82
Rot. Bonds5

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

4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide (PubChem CID 167375489) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
PubChem CID167375489
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O2/c1-15(2)16-6-10-20(11-7-16)28-14-18-12-22(23(30-3)13-21(18)27-28)26-24(29)17-4-8-19(25)9-5-17/h4-5,8-9,12-16,20H,6-7,10-11H2,1-3H3,(H,26,29)
InChIKeyAGJNXYQAXAPZBQ-UHFFFAOYSA-N
XLogP5.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
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
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
CID 167156200
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
3-fluoro-N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide (CID 167375489) is 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide is COc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The InChIKey is AGJNXYQAXAPZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15(2)16-6-10-20(11-7-16)28-14-18-12-22(23(30-3)13-21(18)27-28)26-24(29)17-4-8-19(25)9-5-17/h4-5,8-9,12-16,20H,6-7,10-11H2,1-3H3,(H,26,29).
What are the key properties of 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide is sourced from PubChem (CID 167375489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).