N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

C23H18ClF4N3O3 — CID 42578759

About N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (PubChem CID 42578759) has the molecular formula C23H18ClF4N3O3 and a molecular weight of 495.86 g/mol. Its IUPAC name is N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
• PubChem CID: 42578759
• Molecular Formula: C23H18ClF4N3O3
• Molecular Weight: 495.86 g/mol
• Exact Mass: 495.10
• IUPAC Name: N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
• SMILES: CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)[C@]2(NC(=O)c1cccnc1)C(F)(F)F
• InChI: InChI=1S/C23H18ClF4N3O3/c1-21(2)9-16-18(17(32)10-21)22(23(26,27)28,30-19(33)12-4-3-7-29-11-12)20(34)31(16)13-5-6-15(25)14(24)8-13/h3-8,11H,9-10H2,1-2H3,(H,30,33)/t22-/m0/s1
• InChIKey: WEJJBWVLOZYHKM-QFIPXVFZSA-N
• XLogP: 4.59
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.86
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (CID 42578759) is N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)[C@]2(NC(=O)c1cccnc1)C(F)(F)F.

What is the InChIKey of N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The InChIKey is WEJJBWVLOZYHKM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18ClF4N3O3/c1-21(2)9-16-18(17(32)10-21)22(23(26,27)28,30-19(33)12-4-3-7-29-11-12)20(34)31(16)13-5-6-15(25)14(24)8-13/h3-8,11H,9-10H2,1-2H3,(H,30,33)/t22-/m0/s1.

What are the key properties of N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide has a molecular weight of 495.86 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42578759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).