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

C24H28FN3O2 — CID 167156352

IUPAC2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H28FN3O2/c1-15(2)16-8-10-18(11-9-16)28-14-17-12-22(23(30-3)13-21(17)27-28)26-24(29)19-6-4-5-7-20(19)25/h4-7,12-16,18H,8-11H2,1-3H3,(H,26,29)
InChIKeyCDTIKDFKHNVERN-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.82
Rot. Bonds5

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

2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide (PubChem CID 167156352) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
PubChem CID167156352
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H28FN3O2/c1-15(2)16-8-10-18(11-9-16)28-14-17-12-22(23(30-3)13-21(17)27-28)26-24(29)19-6-4-5-7-20(19)25/h4-7,12-16,18H,8-11H2,1-3H3,(H,26,29)
InChIKeyCDTIKDFKHNVERN-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]pyridine-2-carboxamide
CID 155448904
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
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
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
3-fluoro-N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240266
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 155449126
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide (CID 167156352) is 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide is COc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
The InChIKey is CDTIKDFKHNVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-15(2)16-8-10-18(11-9-16)28-14-17-12-22(23(30-3)13-21(17)27-28)26-24(29)19-6-4-5-7-20(19)25/h4-7,12-16,18H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide?
2-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 2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide is sourced from PubChem (CID 167156352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).