3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide

C23H25Cl2N3O2 — CID 155751992

IUPAC3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide
SMILESCC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2N3O2/c1-23(2,30)17-12-20-15(13-28(27-20)16-6-4-3-5-7-16)11-21(17)26-22(29)14-8-9-18(24)19(25)10-14/h8-13,16,30H,3-7H2,1-2H3,(H,26,29)
InChIKeyRYPNJFUQDRCCEY-UHFFFAOYSA-N
MW446.38 g/mol
LogP6.33
Rot. Bonds4

About 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide

3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide (PubChem CID 155751992) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide
PubChem CID155751992
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide
SMILESCC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H25Cl2N3O2/c1-23(2,30)17-12-20-15(13-28(27-20)16-6-4-3-5-7-16)11-21(17)26-22(29)14-8-9-18(24)19(25)10-14/h8-13,16,30H,3-7H2,1-2H3,(H,26,29)
InChIKeyRYPNJFUQDRCCEY-UHFFFAOYSA-N
XLogP6.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
CID 155751991
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]formamide
CID 167156213
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240012
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
CID 155448898
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155437655
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
CID 155437843
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 170240309

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide (CID 155751992) is 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide is CC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide?
The InChIKey is RYPNJFUQDRCCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-23(2,30)17-12-20-15(13-28(27-20)16-6-4-3-5-7-16)11-21(17)26-22(29)14-8-9-18(24)19(25)10-14/h8-13,16,30H,3-7H2,1-2H3,(H,26,29).
What are the key properties of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide?
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide has a molecular weight of 446.38 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide is sourced from PubChem (CID 155751992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).