2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide

C33H29F2N3O2 — CID 78035823

IUPAC2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)c1c(C)n(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C33H29F2N3O2/c1-20-10-12-24(13-11-20)27-8-6-14-36-33(27)29(17-23-15-25(34)18-26(35)16-23)37-31(40)19-38-21(2)32(22(3)39)28-7-4-5-9-30(28)38/h4-16,18,29H,17,19H2,1-3H3,(H,37,40)
InChIKeyWFGZUZWVLSKCGP-UHFFFAOYSA-N
MW537.61 g/mol
LogP6.90
Rot. Bonds8

About 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide

2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 78035823) has the molecular formula C33H29F2N3O2 and a molecular weight of 537.61 g/mol. Its IUPAC name is 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide
PubChem CID78035823
Molecular FormulaC33H29F2N3O2
Molecular Weight537.61 g/mol
Exact Mass537.22
IUPAC Name2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide
SMILESCC(=O)c1c(C)n(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C33H29F2N3O2/c1-20-10-12-24(13-11-20)27-8-6-14-36-33(27)29(17-23-15-25(34)18-26(35)16-23)37-31(40)19-38-21(2)32(22(3)39)28-7-4-5-9-30(28)38/h4-16,18,29H,17,19H2,1-3H3,(H,37,40)
InChIKeyWFGZUZWVLSKCGP-UHFFFAOYSA-N
XLogP6.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-fluoro-3-sulfamoylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 129129750
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 90162808
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 162163044
5-[2-[2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 78024310
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71204469
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide
CID 157400907
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 90168103
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 90162606
5-[2-[2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186840
5-[2-[(1S)-1-[(2-benzo[g]indol-1-ylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186993
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 123747115
3-[2-[(1S)-1-[[2-(5,6-difluoroindazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide
CID 135215958

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide (CID 78035823) is 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide is CC(=O)c1c(C)n(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is WFGZUZWVLSKCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N3O2/c1-20-10-12-24(13-11-20)27-8-6-14-36-33(27)29(17-23-15-25(34)18-26(35)16-23)37-31(40)19-38-21(2)32(22(3)39)28-7-4-5-9-30(28)38/h4-16,18,29H,17,19H2,1-3H3,(H,37,40).
What are the key properties of 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide?
2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 537.61 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methylindol-1-yl)-N-[2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 78035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).