6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C15H17F2N7 — CID 165415021

IUPAC6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2c(F)cc(F)cn2n1
InChIInChI=1S/C15H17F2N7/c1-22-13(19-15(21-22)23-6-2-3-7-23)5-4-12-18-14-11(17)8-10(16)9-24(14)20-12/h8-9H,2-7H2,1H3
InChIKeyHCKVLUYVSNXYQU-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.52
Rot. Bonds4

About 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165415021) has the molecular formula C15H17F2N7 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165415021
Molecular FormulaC15H17F2N7
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1nc(N2CCCC2)nc1CCc1nc2c(F)cc(F)cn2n1
InChIInChI=1S/C15H17F2N7/c1-22-13(19-15(21-22)23-6-2-3-7-23)5-4-12-18-14-11(17)8-10(16)9-24(14)20-12/h8-9H,2-7H2,1H3
InChIKeyHCKVLUYVSNXYQU-UHFFFAOYSA-N
XLogP1.52
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-Dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72702894
6-Ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72702895
7,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704706
6-Fluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 72705475
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705476
8-Bromo-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705477
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705478
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 72705650
6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165415021) is 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1nc(N2CCCC2)nc1CCc1nc2c(F)cc(F)cn2n1.
What is the InChIKey of 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HCKVLUYVSNXYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7/c1-22-13(19-15(21-22)23-6-2-3-7-23)5-4-12-18-14-11(17)8-10(16)9-24(14)20-12/h8-9H,2-7H2,1H3.
What are the key properties of 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 333.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165415021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).