[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate

C26H29N5O4 — CID 58074608

IUPAC[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
SMILESCOc1cc(-c2ccc(OC)c3nc(C4(COC(=O)NC5CCCCC5)CC4)nn23)ccc1C#N
InChIInChI=1S/C26H29N5O4/c1-33-21-11-10-20(17-8-9-18(15-27)22(14-17)34-2)31-23(21)29-24(30-31)26(12-13-26)16-35-25(32)28-19-6-4-3-5-7-19/h8-11,14,19H,3-7,12-13,16H2,1-2H3,(H,28,32)
InChIKeySIJCMQITGCTFEF-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.38
Rot. Bonds7

About [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate

[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate (PubChem CID 58074608) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
PubChem CID58074608
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
SMILESCOc1cc(-c2ccc(OC)c3nc(C4(COC(=O)NC5CCCCC5)CC4)nn23)ccc1C#N
InChIInChI=1S/C26H29N5O4/c1-33-21-11-10-20(17-8-9-18(15-27)22(14-17)34-2)31-23(21)29-24(30-31)26(12-13-26)16-35-25(32)28-19-6-4-3-5-7-19/h8-11,14,19H,3-7,12-13,16H2,1-2H3,(H,28,32)
InChIKeySIJCMQITGCTFEF-UHFFFAOYSA-N
XLogP4.38
TPSA110.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate with MolForge

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Related Compounds

[1-[8-methoxy-5-(1-oxo-3H-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
CID 58074604
[1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propan-2-ylcarbamate
CID 46830922
[1-[8-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-propylcarbamate
CID 58074661
[1-[5-(4-butan-2-yl-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N,N-diethylcarbamate
CID 91479624
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
(1-carbamoylcyclopropyl) 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 90795475
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-(8-methoxy-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanol
CID 90842028
1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 70228749
2-[(4-cyano-3-methoxyphenyl)methyl]-1-cyclobutylguanidine
CID 122096183
1-[5-(4-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 70231703
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate?
The IUPAC name of [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate (CID 58074608) is [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate.
What is the SMILES notation for [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate?
The canonical SMILES for [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate is COc1cc(-c2ccc(OC)c3nc(C4(COC(=O)NC5CCCCC5)CC4)nn23)ccc1C#N.
What is the InChIKey of [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate?
The InChIKey is SIJCMQITGCTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-33-21-11-10-20(17-8-9-18(15-27)22(14-17)34-2)31-23(21)29-24(30-31)26(12-13-26)16-35-25(32)28-19-6-4-3-5-7-19/h8-11,14,19H,3-7,12-13,16H2,1-2H3,(H,28,32).
What are the key properties of [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate?
[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate has a molecular weight of 475.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate is sourced from PubChem (CID 58074608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).