6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

C36H40F4N8O4 — CID 153370756

IUPAC6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1nnc2ccc(-c3cnc(OC(C)(C)C(C)(F)F)c(C)c3)cn12.COCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12
InChIInChI=1S/C19H22F2N4O2.C17H18F2N4O2/c1-12-8-14(9-22-17(12)27-18(2,3)19(4,20)21)13-6-7-15-23-24-16(11-26-5)25(15)10-13;1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h6-10H,11H2,1-5H3;4-8H,9-10H2,1-3H3
InChIKeyVEKPNFIONJLTCA-UHFFFAOYSA-N
MW724.76 g/mol
LogP7.34
Rot. Bonds12

About 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 153370756) has the molecular formula C36H40F4N8O4 and a molecular weight of 724.76 g/mol. Its IUPAC name is 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID153370756
Molecular FormulaC36H40F4N8O4
Molecular Weight724.76 g/mol
Exact Mass724.31
IUPAC Name6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1nnc2ccc(-c3cnc(OC(C)(C)C(C)(F)F)c(C)c3)cn12.COCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12
InChIInChI=1S/C19H22F2N4O2.C17H18F2N4O2/c1-12-8-14(9-22-17(12)27-18(2,3)19(4,20)21)13-6-7-15-23-24-16(11-26-5)25(15)10-13;1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h6-10H,11H2,1-5H3;4-8H,9-10H2,1-3H3
InChIKeyVEKPNFIONJLTCA-UHFFFAOYSA-N
XLogP7.34
TPSA123.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.76
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
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3,7-Diphenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[4,3-b]pyridazine
CID 9917995
3-(Cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxypyridin-3-yl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66784675
7-[4-(2,6-Dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66787433
4-(3-(3,4-difluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyridin-2-amine
CID 118146223
4-[(5S)-5-[(3,4-difluorophenyl)methyl]-7-oxa-2,3,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-10-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 118194569
4-(3-(3,4-difluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthalen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyridin-2-amine
CID 145995651
3-(Cyclopropylmethyl)-7-[4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 137652320
3-(3-Fluoropyridin-4-yl)-6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrazolo[1,5-a]pyrimidine
CID 44223355
6-(3-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44577681
N,N-dimethyl-3-[4-[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenoxy]propan-1-amine
CID 155545048
BiBET
CID 122164965

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 153370756) is 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is COCc1nnc2ccc(-c3cnc(OC(C)(C)C(C)(F)F)c(C)c3)cn12.COCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12.
What is the InChIKey of 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VEKPNFIONJLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2.C17H18F2N4O2/c1-12-8-14(9-22-17(12)27-18(2,3)19(4,20)21)13-6-7-15-23-24-16(11-26-5)25(15)10-13;1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h6-10H,11H2,1-5H3;4-8H,9-10H2,1-3H3.
What are the key properties of 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 724.76 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,3-difluoro-2-methylbutan-2-yl)oxy-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 153370756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).