[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate

C22H24N6O3 — CID 90806447

IUPAC[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(c1nc2c(OC)ccc(-c3cncc(C#N)c3)n2n1)C1CC1
InChIInChI=1S/C22H24N6O3/c1-4-27(5-2)22(29)31-19(15-6-7-15)20-25-21-18(30-3)9-8-17(28(21)26-20)16-10-14(11-23)12-24-13-16/h8-10,12-13,15,19H,4-7H2,1-3H3
InChIKeyIJFUEJIKLZBCRK-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.60
Rot. Bonds7

About [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate

[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate (PubChem CID 90806447) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate
PubChem CID90806447
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC(c1nc2c(OC)ccc(-c3cncc(C#N)c3)n2n1)C1CC1
InChIInChI=1S/C22H24N6O3/c1-4-27(5-2)22(29)31-19(15-6-7-15)20-25-21-18(30-3)9-8-17(28(21)26-20)16-10-14(11-23)12-24-13-16/h8-10,12-13,15,19H,4-7H2,1-3H3
InChIKeyIJFUEJIKLZBCRK-UHFFFAOYSA-N
XLogP3.60
TPSA105.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
[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
[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-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 58074668
(1-carbamoylcyclopropyl) 1-[5-(3-cyanophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 90795475
5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile
CID 143991068
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-(4-cyano-3-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]methyl N-cyclohexylcarbamate
CID 58074608
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
5-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 25121787
N-[[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]methyl]acetamide
CID 46834673
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636

Frequently Asked Questions

What is the IUPAC name of [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate?
The IUPAC name of [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate (CID 90806447) is [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate.
What is the SMILES notation for [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate?
The canonical SMILES for [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate is CCN(CC)C(=O)OC(c1nc2c(OC)ccc(-c3cncc(C#N)c3)n2n1)C1CC1.
What is the InChIKey of [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate?
The InChIKey is IJFUEJIKLZBCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-4-27(5-2)22(29)31-19(15-6-7-15)20-25-21-18(30-3)9-8-17(28(21)26-20)16-10-14(11-23)12-24-13-16/h8-10,12-13,15,19H,4-7H2,1-3H3.
What are the key properties of [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate?
[[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate has a molecular weight of 420.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(5-cyano-3-pyridinyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-cyclopropylmethyl] N,N-diethylcarbamate is sourced from PubChem (CID 90806447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).