[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C21H26N6O — CID 90107715

IUPAC[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1
InChIInChI=1S/C21H26N6O/c1-3-25(4-2)17-12-13-26(14-17)20(28)16-10-8-15(9-11-16)18-6-5-7-19-23-21(22)24-27(18)19/h5-11,17H,3-4,12-14H2,1-2H3,(H2,22,24)
InChIKeySQPHOIFQWSLYEM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.53
Rot. Bonds5

About [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 90107715) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID90107715
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1
InChIInChI=1S/C21H26N6O/c1-3-25(4-2)17-12-13-26(14-17)20(28)16-10-8-15(9-11-16)18-6-5-7-19-23-21(22)24-27(18)19/h5-11,17H,3-4,12-14H2,1-2H3,(H2,22,24)
InChIKeySQPHOIFQWSLYEM-UHFFFAOYSA-N
XLogP2.53
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone 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

[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-[(dimethylamino)methyl]azetidin-1-yl]methanone
CID 90107661
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90105596
[5-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106434
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
cyclopropanecarboxylic acid;5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 172705766
5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
CID 159857656

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 90107715) is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(-c3cccc4nc(N)nn34)cc2)C1.
What is the InChIKey of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is SQPHOIFQWSLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-25(4-2)17-12-13-26(14-17)20(28)16-10-8-15(9-11-16)18-6-5-7-19-23-21(22)24-27(18)19/h5-11,17H,3-4,12-14H2,1-2H3,(H2,22,24).
What are the key properties of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90107715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).