[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

C18H17F2N5O — CID 166261623

IUPAC[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESNCCC1CN(C(=O)c2ccc3nnc(C(F)F)n3c2)c2ccccc21
InChIInChI=1S/C18H17F2N5O/c19-16(20)17-23-22-15-6-5-12(10-25(15)17)18(26)24-9-11(7-8-21)13-3-1-2-4-14(13)24/h1-6,10-11,16H,7-9,21H2
InChIKeyXYUJZZQENVJNGW-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.76
Rot. Bonds4

About [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone

[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (PubChem CID 166261623) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
PubChem CID166261623
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
SMILESNCCC1CN(C(=O)c2ccc3nnc(C(F)F)n3c2)c2ccccc21
InChIInChI=1S/C18H17F2N5O/c19-16(20)17-23-22-15-6-5-12(10-25(15)17)18(26)24-9-11(7-8-21)13-3-1-2-4-14(13)24/h1-6,10-11,16H,7-9,21H2
InChIKeyXYUJZZQENVJNGW-UHFFFAOYSA-N
XLogP2.76
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The IUPAC name of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone (CID 166261623) is [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The canonical SMILES for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is NCCC1CN(C(=O)c2ccc3nnc(C(F)F)n3c2)c2ccccc21.
What is the InChIKey of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
The InChIKey is XYUJZZQENVJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-16(20)17-23-22-15-6-5-12(10-25(15)17)18(26)24-9-11(7-8-21)13-3-1-2-4-14(13)24/h1-6,10-11,16H,7-9,21H2.
What are the key properties of [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone?
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone is sourced from PubChem (CID 166261623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).