6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

C25H23F4N3O2 — CID 177171209

IUPAC6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC=C(c2cc(-c3ccccc3C(F)(F)F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
InChIInChI=1S/C25H23F4N3O2/c1-14(33)32-10-6-7-15(13-32)17-11-18(16-8-4-5-9-20(16)25(27,28)29)19-12-21(24(34)31(2)3)30-23(19)22(17)26/h4-5,7-9,11-12,30H,6,10,13H2,1-3H3
InChIKeyILITYNLNKSJZHA-UHFFFAOYSA-N
MW473.47 g/mol
LogP5.33
Rot. Bonds3

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 177171209) has the molecular formula C25H23F4N3O2 and a molecular weight of 473.47 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID177171209
Molecular FormulaC25H23F4N3O2
Molecular Weight473.47 g/mol
Exact Mass473.17
IUPAC Name6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
SMILESCC(=O)N1CCC=C(c2cc(-c3ccccc3C(F)(F)F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
InChIInChI=1S/C25H23F4N3O2/c1-14(33)32-10-6-7-15(13-32)17-11-18(16-8-4-5-9-20(16)25(27,28)29)19-12-21(24(34)31(2)3)30-23(19)22(17)26/h4-5,7-9,11-12,30H,6,10,13H2,1-3H3
InChIKeyILITYNLNKSJZHA-UHFFFAOYSA-N
XLogP5.33
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide (CID 177171209) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is CC(=O)N1CCC=C(c2cc(-c3ccccc3C(F)(F)F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.
What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is ILITYNLNKSJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N3O2/c1-14(33)32-10-6-7-15(13-32)17-11-18(16-8-4-5-9-20(16)25(27,28)29)19-12-21(24(34)31(2)3)30-23(19)22(17)26/h4-5,7-9,11-12,30H,6,10,13H2,1-3H3.
What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide?
6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 473.47 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-7-fluoro-N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177171209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).