[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane

C21H20N6O3 — CID 90107248

IUPAC[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane
SMILESC1CC1.N#CC1CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)C1
InChIInChI=1S/C18H14N6O3.C3H6/c19-8-11-9-23(10-11)16(25)13-6-4-12(5-7-13)14-2-1-3-15-20-17(21-18(26)27)22-24(14)15;1-2-3-1/h1-7,11H,9-10H2,(H,21,22)(H,26,27);1-3H2
InChIKeyGVTKSWKBNGAGMO-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.25
Rot. Bonds3

About [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane

[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane (PubChem CID 90107248) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane.

Molecular Properties

Compound Name[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane
PubChem CID90107248
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane
SMILESC1CC1.N#CC1CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)C1
InChIInChI=1S/C18H14N6O3.C3H6/c19-8-11-9-23(10-11)16(25)13-6-4-12(5-7-13)14-2-1-3-15-20-17(21-18(26)27)22-24(14)15;1-2-3-1/h1-7,11H,9-10H2,(H,21,22)(H,26,27);1-3H2
InChIKeyGVTKSWKBNGAGMO-UHFFFAOYSA-N
XLogP3.25
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Solcitinib
CID 44603362
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959046
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)-N-methylbenzamide
CID 24959409
N-(5-(4-(4,4-difluoropiperidine-1-carbonyl(phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58374847
Cyclopropanecarboxylic acid {5-[4-(3-cyano-azetidine-1-carbonyl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-amide
CID 67331264
N-[5-[2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408512
N-[5-[2-(3,3-difluoropropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408513
N-[5-[2-(2-cyanoacetyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408514
N-[5-[2-(1-cyanocyclopropanecarbonyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408516
N-[5-[2-(2-cyano-2-methylpropanoyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408517
N-[5-[2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408518
N-[5-[3-(2-cyanoacetyl)-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408522

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane?
The IUPAC name of [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane (CID 90107248) is [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane.
What is the SMILES notation for [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane?
The canonical SMILES for [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane is C1CC1.N#CC1CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)O)nn34)cc2)C1.
What is the InChIKey of [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane?
The InChIKey is GVTKSWKBNGAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3.C3H6/c19-8-11-9-23(10-11)16(25)13-6-4-12(5-7-13)14-2-1-3-15-20-17(21-18(26)27)22-24(14)15;1-2-3-1/h1-7,11H,9-10H2,(H,21,22)(H,26,27);1-3H2.
What are the key properties of [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane?
[5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane has a molecular weight of 404.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-cyanoazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid;cyclopropane is sourced from PubChem (CID 90107248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).