3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C15H14F3N5O — CID 139002607

IUPAC3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)CN1CCC(c2nc(-c3nccc4[nH]ccc34)no2)C1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)8-23-6-3-9(7-23)14-21-13(22-24-14)12-10-1-4-19-11(10)2-5-20-12/h1-2,4-5,9,19H,3,6-8H2
InChIKeyFZAPLCKPNWRJCA-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.96
Rot. Bonds3

About 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 139002607) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID139002607
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)CN1CCC(c2nc(-c3nccc4[nH]ccc34)no2)C1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)8-23-6-3-9(7-23)14-21-13(22-24-14)12-10-1-4-19-11(10)2-5-20-12/h1-2,4-5,9,19H,3,6-8H2
InChIKeyFZAPLCKPNWRJCA-UHFFFAOYSA-N
XLogP2.96
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,3-dimethylcyclobutyl)-3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 154801845
1-tert-butyl-4-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 138995286
3-[[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247970
3-(benzimidazol-1-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 139002569
1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 138995276
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
CID 126802572
3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128970661
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
3-(3-methyl-2-pyridinyl)-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 45204533
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 95830092
3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92576526

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 139002607) is 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)CN1CCC(c2nc(-c3nccc4[nH]ccc34)no2)C1.
What is the InChIKey of 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FZAPLCKPNWRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-15(17,18)8-23-6-3-9(7-23)14-21-13(22-24-14)12-10-1-4-19-11(10)2-5-20-12/h1-2,4-5,9,19H,3,6-8H2.
What are the key properties of 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 337.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-5-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 139002607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).