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

C24H27Cl2N3O3 — CID 155751991

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

3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde (PubChem CID 155751991) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
• PubChem CID: 155751991
• Molecular Formula: C24H27Cl2N3O3
• Molecular Weight: 476.40 g/mol
• Exact Mass: 475.14
• IUPAC Name: 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
• SMILES: C=O.CC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H25Cl2N3O2.CH2O/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;1-2/h8-13,16,30H,3-7H2,1-2H3,(H,26,29);1H2
• InChIKey: DBKNFFBINWIWTC-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.40
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde?

The IUPAC name of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde (CID 155751991) is 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde.

What is the SMILES notation for 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde?

The canonical SMILES for 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde is C=O.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;formaldehyde?

The InChIKey is DBKNFFBINWIWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2.CH2O/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;1-2/h8-13,16,30H,3-7H2,1-2H3,(H,26,29);1H2.

What are the key properties of 3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde?

3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde has a molecular weight of 476.40 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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;formaldehyde is sourced from PubChem (CID 155751991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).