5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid

C20H22N6O5S — CID 118913997

IUPAC5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
SMILESCOc1ccc(-c2cncc(C#N)c2)n2nc(C3CC3)nc12.CS(=O)(=O)CCNC(=O)O
InChIInChI=1S/C16H13N5O.C4H9NO4S/c1-22-14-5-4-13(12-6-10(7-17)8-18-9-12)21-16(14)19-15(20-21)11-2-3-11;1-10(8,9)3-2-5-4(6)7/h4-6,8-9,11H,2-3H2,1H3;5H,2-3H2,1H3,(H,6,7)
InChIKeyVPTWESNPSSRNQW-UHFFFAOYSA-N
MW458.50 g/mol
LogP1.85
Rot. Bonds6

About 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid (PubChem CID 118913997) has the molecular formula C20H22N6O5S and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid.

Molecular Properties

Compound Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
PubChem CID118913997
Molecular FormulaC20H22N6O5S
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC Name5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
SMILESCOc1ccc(-c2cncc(C#N)c2)n2nc(C3CC3)nc12.CS(=O)(=O)CCNC(=O)O
InChIInChI=1S/C16H13N5O.C4H9NO4S/c1-22-14-5-4-13(12-6-10(7-17)8-18-9-12)21-16(14)19-15(20-21)11-2-3-11;1-10(8,9)3-2-5-4(6)7/h4-6,8-9,11H,2-3H2,1H3;5H,2-3H2,1H3,(H,6,7)
InChIKeyVPTWESNPSSRNQW-UHFFFAOYSA-N
XLogP1.85
TPSA159.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3H-2-benzofuran-1-one;2-(dimethylsulfamoyl)ethylcarbamic acid
CID 118913996
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate
CID 90806447
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
CID 70230839
1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 58074668
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
[1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate
CID 46830922
methyl 6-amino-5-methoxypyridine-2-carboxylate;methyl 2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 162153799
(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 58074662
1-[5-(4-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 58074651
1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 70228749

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid?
The IUPAC name of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid (CID 118913997) is 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid.
What is the SMILES notation for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid?
The canonical SMILES for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid is COc1ccc(-c2cncc(C#N)c2)n2nc(C3CC3)nc12.CS(=O)(=O)CCNC(=O)O.
What is the InChIKey of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid?
The InChIKey is VPTWESNPSSRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.C4H9NO4S/c1-22-14-5-4-13(12-6-10(7-17)8-18-9-12)21-16(14)19-15(20-21)11-2-3-11;1-10(8,9)3-2-5-4(6)7/h4-6,8-9,11H,2-3H2,1H3;5H,2-3H2,1H3,(H,6,7).
What are the key properties of 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid?
5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid has a molecular weight of 458.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid is sourced from PubChem (CID 118913997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).