7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

C26H26F3N7O2 — CID 134264332

IUPAC7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3CC3)ccc2c1N1CCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C26H26F3N7O2/c27-26(28,29)25-33-32-22-14-35(9-10-36(22)25)24(37)17-5-7-34(8-6-17)23-18(12-30)13-31-21-11-19(3-4-20(21)23)38-15-16-1-2-16/h3-4,11,13,16-17H,1-2,5-10,14-15H2
InChIKeyFZHBLLYLHYVDLJ-UHFFFAOYSA-N
MW525.54 g/mol
LogP3.76
Rot. Bonds5

About 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile

7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 134264332) has the molecular formula C26H26F3N7O2 and a molecular weight of 525.54 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID134264332
Molecular FormulaC26H26F3N7O2
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC Name7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3CC3)ccc2c1N1CCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C26H26F3N7O2/c27-26(28,29)25-33-32-22-14-35(9-10-36(22)25)24(37)17-5-7-34(8-6-17)23-18(12-30)13-31-21-11-19(3-4-20(21)23)38-15-16-1-2-16/h3-4,11,13,16-17H,1-2,5-10,14-15H2
InChIKeyFZHBLLYLHYVDLJ-UHFFFAOYSA-N
XLogP3.76
TPSA100.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 7-(cyclopropylmethoxy)-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 134264332) is 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2cc(OCC3CC3)ccc2c1N1CCC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1.
What is the InChIKey of 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is FZHBLLYLHYVDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2/c27-26(28,29)25-33-32-22-14-35(9-10-36(22)25)24(37)17-5-7-34(8-6-17)23-18(12-30)13-31-21-11-19(3-4-20(21)23)38-15-16-1-2-16/h3-4,11,13,16-17H,1-2,5-10,14-15H2.
What are the key properties of 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile?
7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 525.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-4-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 134264332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).