(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C22H17F3N6O — CID 154861494

IUPAC(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1
InChIInChI=1S/C22H17F3N6O/c1-13-4-5-17-15(9-13)16(10-18(27-17)14-3-2-6-26-11-14)20(32)30-7-8-31-19(12-30)28-29-21(31)22(23,24)25/h2-6,9-11H,7-8,12H2,1H3
InChIKeyQWVLFOXLWDQRRZ-UHFFFAOYSA-N
MW438.41 g/mol
LogP3.87
Rot. Bonds2

About (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 154861494) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID154861494
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC Name(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1
InChIInChI=1S/C22H17F3N6O/c1-13-4-5-17-15(9-13)16(10-18(27-17)14-3-2-6-26-11-14)20(32)30-7-8-31-19(12-30)28-29-21(31)22(23,24)25/h2-6,9-11H,7-8,12H2,1H3
InChIKeyQWVLFOXLWDQRRZ-UHFFFAOYSA-N
XLogP3.87
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-2-(trifluoromethyl)phenyl]-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 66599506
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(6-methyl-2-pyridin-3-ylquinolin-4-yl)methanone
CID 1261440
2-(2,3-dimethylphenoxy)-1-[4-(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166179184
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(5-chloro-2-fluorophenyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166178822
(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 67969925
N-(2-chloro-4-methylphenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166212147
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
2,6-dimethyl-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264241

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 154861494) is (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1.
What is the InChIKey of (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is QWVLFOXLWDQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O/c1-13-4-5-17-15(9-13)16(10-18(27-17)14-3-2-6-26-11-14)20(32)30-7-8-31-19(12-30)28-29-21(31)22(23,24)25/h2-6,9-11H,7-8,12H2,1H3.
What are the key properties of (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 438.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridin-3-ylquinolin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 154861494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).