4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid

C23H27N5O4 — CID 118913934

IUPAC4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid
SMILESCC(C)CNC(=O)O.COc1cc(-c2ccc(OC)n3nc(C4CC4)nc23)ccc1C#N
InChIInChI=1S/C18H16N4O2.C5H11NO2/c1-23-15-9-12(5-6-13(15)10-19)14-7-8-16(24-2)22-18(14)20-17(21-22)11-3-4-11;1-4(2)3-6-5(7)8/h5-9,11H,3-4H2,1-2H3;4,6H,3H2,1-2H3,(H,7,8)
InChIKeySXWJFBSQCBGUEB-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.07
Rot. Bonds6

About 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid

4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid (PubChem CID 118913934) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid.

Molecular Properties

Compound Name4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid
PubChem CID118913934
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid
SMILESCC(C)CNC(=O)O.COc1cc(-c2ccc(OC)n3nc(C4CC4)nc23)ccc1C#N
InChIInChI=1S/C18H16N4O2.C5H11NO2/c1-23-15-9-12(5-6-13(15)10-19)14-7-8-16(24-2)22-18(14)20-17(21-22)11-3-4-11;1-4(2)3-6-5(7)8/h5-9,11H,3-4H2,1-2H3;4,6H,3H2,1-2H3,(H,7,8)
InChIKeySXWJFBSQCBGUEB-UHFFFAOYSA-N
XLogP4.07
TPSA121.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid with MolForge

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Related Compounds

5-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-3-carbonitrile;2-methylsulfonylethylcarbamic acid
CID 118913997
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
1-[5-methoxy-8-(1-oxo-2,3-dihydroinden-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 58074615
[1-[5-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
CID 58074608
2-cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
(2R)-2-[(4-cyano-3-methoxyphenyl)methylamino]propanoic acid
CID 106792601
4-[4-[(S)-cyclopropyl(hydroxy)methyl]-3-pyridinyl]-2-methoxybenzonitrile
CID 124565473
2-[1-[(3-cyano-4-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684229
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106792477
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid
CID 106792206
5-(5-amino-2-cyclopropyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336405
9H-fluoren-9-ylmethyl 3-(4-cyano-3-methoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 171965709

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid?
The IUPAC name of 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid (CID 118913934) is 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid.
What is the SMILES notation for 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid?
The canonical SMILES for 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid is CC(C)CNC(=O)O.COc1cc(-c2ccc(OC)n3nc(C4CC4)nc23)ccc1C#N.
What is the InChIKey of 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid?
The InChIKey is SXWJFBSQCBGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C5H11NO2/c1-23-15-9-12(5-6-13(15)10-19)14-7-8-16(24-2)22-18(14)20-17(21-22)11-3-4-11;1-4(2)3-6-5(7)8/h5-9,11H,3-4H2,1-2H3;4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid?
4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid has a molecular weight of 437.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methoxybenzonitrile;2-methylpropylcarbamic acid is sourced from PubChem (CID 118913934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).