1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide

C18H15F3N4O2 — CID 170751260

IUPAC1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide
SMILESNC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(N2CCC2)n1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-12-6-5-11-9-14(17(22)26)25(13(11)10-12)16-4-1-3-15(23-16)24-7-2-8-24/h1,3-6,9-10H,2,7-8H2,(H2,22,26)
InChIKeyVLGFQRKAZXSJDW-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.23
Rot. Bonds4

About 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide

1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide (PubChem CID 170751260) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide.

Molecular Properties

Compound Name1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide
PubChem CID170751260
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide
SMILESNC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(N2CCC2)n1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-12-6-5-11-9-14(17(22)26)25(13(11)10-12)16-4-1-3-15(23-16)24-7-2-8-24/h1,3-6,9-10H,2,7-8H2,(H2,22,26)
InChIKeyVLGFQRKAZXSJDW-UHFFFAOYSA-N
XLogP3.23
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[6-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]cyclobutyl]amino]acetic acid
CID 170751408
trans-ethyl (1R,2R)-2-[6-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]-2-pyridinyl]cyclopropane-1-carboxylate
CID 170751267
3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-2,2-dimethylpropanoic acid
CID 170751275
2-[1-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]cyclopropyl]acetic acid
CID 170751354
trans-methyl (1R,2R)-2-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]cyclopropane-1-carboxylate
CID 170751465
[2-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-2,2-difluoroethyl] methanesulfinate
CID 170751341
tert-butyl 3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]propanoate
CID 170751429
2-[6-[2-carbamoyl-6-(trifluoromethoxy)benzimidazol-1-yl]-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 170751241
1-[3-[(1S)-1-amino-2-carboxyethyl]phenyl]-6-(trifluoromethoxy)indole-2-carboxylic acid
CID 170751205
methyl (3R)-3-[3-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170751238
6-(methanesulfonamido)-1-[3-[2-[3-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]indole-2-carboxamide
CID 135236200
2-[5-[2-carbamoyl-6-(trifluoromethoxy)indol-1-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 170751213

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide?
The IUPAC name of 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide (CID 170751260) is 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide.
What is the SMILES notation for 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide?
The canonical SMILES for 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide is NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(N2CCC2)n1.
What is the InChIKey of 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide?
The InChIKey is VLGFQRKAZXSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)27-12-6-5-11-9-14(17(22)26)25(13(11)10-12)16-4-1-3-15(23-16)24-7-2-8-24/h1,3-6,9-10H,2,7-8H2,(H2,22,26).
What are the key properties of 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide?
1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azetidin-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)indole-2-carboxamide is sourced from PubChem (CID 170751260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).