(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C21H15F2N5O — CID 53482150

IUPAC(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C21H15F2N5O/c22-15-7-4-14(5-8-15)21(29)27-10-11-28-18(12-27)25-26-20(28)17-9-6-13-2-1-3-16(23)19(13)24-17/h1-9H,10-12H2
InChIKeyUEOIUOCLTKBSHV-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.43
Rot. Bonds2

About (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 53482150) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID53482150
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C21H15F2N5O/c22-15-7-4-14(5-8-15)21(29)27-10-11-28-18(12-27)25-26-20(28)17-9-6-13-2-1-3-16(23)19(13)24-17/h1-9H,10-12H2
InChIKeyUEOIUOCLTKBSHV-UHFFFAOYSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorobenzyl)-N-((4-(4-cyanobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 10142164
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 1100830
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 122179445
N-(2,4-difluorobenzyl)-N-((4-(4-cyanobenzyl)-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 9913660
N-((4-(4-cyanobenzyl)-4H-1,2,4-triazol-3-yl)methyl)-N-(4-fluorobenzyl)quinoline-2-carboxamide
CID 10116437
N-(2,4-difluorobenzyl)-N-((4-((5-cyanopyridin-2-yl)methyl)-4H-1,2,4-triazol-3-yl)methyl)quinoline-2-carboxamide
CID 10278364
N-((4-(4-cyanobenzyl)-4H-1,2,4-triazol-3-yl)methyl)-N-(4-fluorophenethyl)quinoline-2-carboxamide
CID 23575319
(R)-(4-(4-(indolin-1-yl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 49862371
(4-fluorophenyl)(8-methyl-3-(6-methylpyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67451905
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67452275
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
(4-fluorophenyl)-[3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453320

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 53482150) is (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2ccc3cccc(F)c3n2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is UEOIUOCLTKBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c22-15-7-4-14(5-8-15)21(29)27-10-11-28-18(12-27)25-26-20(28)17-9-6-13-2-1-3-16(23)19(13)24-17/h1-9H,10-12H2.
What are the key properties of (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 391.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(8-fluoroquinolin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 53482150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).