5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine

C19H19F2N5O — CID 175395875

IUPAC5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC2)cn1
InChIInChI=1S/C19H19F2N5O/c1-13-17(12-27-18-8-7-16(11-22-18)25-9-2-10-25)26(24-23-13)15-5-3-14(4-6-15)19(20)21/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyNCXQAWUSONBELR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.70
Rot. Bonds6

About 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine

5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine (PubChem CID 175395875) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine
PubChem CID175395875
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC2)cn1
InChIInChI=1S/C19H19F2N5O/c1-13-17(12-27-18-8-7-16(11-22-18)25-9-2-10-25)26(24-23-13)15-5-3-14(4-6-15)19(20)21/h3-8,11,19H,2,9-10,12H2,1H3
InChIKeyNCXQAWUSONBELR-UHFFFAOYSA-N
XLogP3.70
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridazine
CID 146311114
4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-6,6-dimethylpiperazin-2-one
CID 167438977
2-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-8-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-one
CID 167438821
7-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-1-one
CID 167438776
methyl (2S)-1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazine-2-carboxylate
CID 167438864
tert-butyl 2-carbamoyl-4-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-2-methylpiperazine-1-carboxylate
CID 175395896
3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylpyridazin-4-yl)pyridazine
CID 169049093
3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
CID 167438741
3-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methoxy]-6-(6-methylsulfonyl-3-pyridinyl)pyridazine
CID 162723290
[5-[(6-chloropyridazin-3-yl)oxymethyl]-1-[4-(difluoromethyl)phenyl]triazol-4-yl]methanol
CID 167438912
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 57335700
1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one
CID 166070769

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine?
The IUPAC name of 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine (CID 175395875) is 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine?
The canonical SMILES for 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCC2)cn1.
What is the InChIKey of 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine?
The InChIKey is NCXQAWUSONBELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-13-17(12-27-18-8-7-16(11-22-18)25-9-2-10-25)26(24-23-13)15-5-3-14(4-6-15)19(20)21/h3-8,11,19H,2,9-10,12H2,1H3.
What are the key properties of 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine?
5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine has a molecular weight of 371.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-2-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 175395875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).