1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride

C26H25ClF3N7O — CID 67294058

IUPAC1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
SMILESCc1ccc(N2CCC(CCOc3ccc(-c4cc5c(nnn5C)c(C#N)n4)cc3C(F)(F)F)C2)nc1.Cl
InChIInChI=1S/C26H24F3N7O.ClH/c1-16-3-6-24(31-14-16)36-9-7-17(15-36)8-10-37-23-5-4-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)33-34-35(22)2;/h3-6,11-12,14,17H,7-10,15H2,1-2H3;1H
InChIKeyGNNOYDDONXDLFG-UHFFFAOYSA-N
MW543.98 g/mol
LogP5.34
Rot. Bonds6

About 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride

1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride (PubChem CID 67294058) has the molecular formula C26H25ClF3N7O and a molecular weight of 543.98 g/mol. Its IUPAC name is 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
PubChem CID67294058
Molecular FormulaC26H25ClF3N7O
Molecular Weight543.98 g/mol
Exact Mass543.18
IUPAC Name1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
SMILESCc1ccc(N2CCC(CCOc3ccc(-c4cc5c(nnn5C)c(C#N)n4)cc3C(F)(F)F)C2)nc1.Cl
InChIInChI=1S/C26H24F3N7O.ClH/c1-16-3-6-24(31-14-16)36-9-7-17(15-36)8-10-37-23-5-4-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)33-34-35(22)2;/h3-6,11-12,14,17H,7-10,15H2,1-2H3;1H
InChIKeyGNNOYDDONXDLFG-UHFFFAOYSA-N
XLogP5.34
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.98
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride (CID 67294058) is 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride is Cc1ccc(N2CCC(CCOc3ccc(-c4cc5c(nnn5C)c(C#N)n4)cc3C(F)(F)F)C2)nc1.Cl.
What is the InChIKey of 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?
The InChIKey is GNNOYDDONXDLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O.ClH/c1-16-3-6-24(31-14-16)36-9-7-17(15-36)8-10-37-23-5-4-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)33-34-35(22)2;/h3-6,11-12,14,17H,7-10,15H2,1-2H3;1H.
What are the key properties of 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride?
1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 543.98 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 67294058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).