3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide

C26H32F3N3O3 — CID 42578745

About 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide

3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (PubChem CID 42578745) has the molecular formula C26H32F3N3O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
• PubChem CID: 42578745
• Molecular Formula: C26H32F3N3O3
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.24
• IUPAC Name: 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
• SMILES: CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)CCC1CCCCC1)C(F)(F)F
• InChI: InChI=1S/C26H32F3N3O3/c1-24(2)13-19-22(20(33)14-24)25(26(27,28)29,23(35)32(19)16-18-9-6-12-30-15-18)31-21(34)11-10-17-7-4-3-5-8-17/h6,9,12,15,17H,3-5,7-8,10-11,13-14,16H2,1-2H3,(H,31,34)/t25-/m0/s1
• InChIKey: WZQWTPLXWIWQMK-VWLOTQADSA-N
• XLogP: 4.84
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?

The IUPAC name of 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (CID 42578745) is 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.

What is the SMILES notation for 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?

The canonical SMILES for 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide is CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)[C@]2(NC(=O)CCC1CCCCC1)C(F)(F)F.

What is the InChIKey of 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?

The InChIKey is WZQWTPLXWIWQMK-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32F3N3O3/c1-24(2)13-19-22(20(33)14-24)25(26(27,28)29,23(35)32(19)16-18-9-6-12-30-15-18)31-21(34)11-10-17-7-4-3-5-8-17/h6,9,12,15,17H,3-5,7-8,10-11,13-14,16H2,1-2H3,(H,31,34)/t25-/m0/s1.

What are the key properties of 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?

3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide has a molecular weight of 491.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide is sourced from PubChem (CID 42578745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).