2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile

C24H19N5O — CID 159043837

IUPAC2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3cccc(C(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C24H19N5O/c25-14-19-4-1-2-7-21(19)26-24-27-23-11-10-20(15-29(23)28-24)17-5-3-6-18(13-17)22(30)12-16-8-9-16/h1-7,10-11,13,15-16H,8-9,12H2,(H,26,28)
InChIKeyJWKHBEAQGGBOSZ-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.99
Rot. Bonds6

About 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile

2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile (PubChem CID 159043837) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
PubChem CID159043837
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2ccc(-c3cccc(C(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C24H19N5O/c25-14-19-4-1-2-7-21(19)26-24-27-23-11-10-20(15-29(23)28-24)17-5-3-6-18(13-17)22(30)12-16-8-9-16/h1-7,10-11,13,15-16H,8-9,12H2,(H,26,28)
InChIKeyJWKHBEAQGGBOSZ-UHFFFAOYSA-N
XLogP4.99
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile with MolForge

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Related Compounds

3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(2-methoxyethyl)benzamide
CID 67216717
3-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(3,3-dimethylbutan-2-yl)benzamide
CID 77242205
2-[(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
CID 67216001
N-[2-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 67216719
2-[[6-[4-(4,4,4-trifluoro-2-oxobutyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 158101611
2-[[6-[4-(3,3-difluoro-2-oxo-3-phenylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 158078312
N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 53234590
2-[[6-[4-[1-(1-phenylcyclopropyl)ethylideneamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile
CID 123277688
1-cyclopropyl-N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
CID 53234898
6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159129374
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
CID 53234900
4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide
CID 89157461

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile (CID 159043837) is 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile is N#Cc1ccccc1Nc1nc2ccc(-c3cccc(C(=O)CC4CC4)c3)cn2n1.
What is the InChIKey of 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
The InChIKey is JWKHBEAQGGBOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-14-19-4-1-2-7-21(19)26-24-27-23-11-10-20(15-29(23)28-24)17-5-3-6-18(13-17)22(30)12-16-8-9-16/h1-7,10-11,13,15-16H,8-9,12H2,(H,26,28).
What are the key properties of 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile?
2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile has a molecular weight of 393.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(2-cyclopropylacetyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzonitrile is sourced from PubChem (CID 159043837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).