1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C21H20N4O3 — CID 144793006

IUPAC1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)C(=O)[C@H](O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1
InChIInChI=1S/C21H20N4O3/c1-3-24(2)21(28)17(26)11-10-14-7-6-8-15(13-14)18-16-9-4-5-12-25(16)20(23-18)19(22)27/h4-9,12-13,17,26H,3H2,1-2H3,(H2,22,27)/t17-/m1/s1
InChIKeyMAFPPHSHDDNKCE-QGZVFWFLSA-N
MW376.42 g/mol
LogP1.29
Rot. Bonds4

About 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 144793006) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID144793006
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(C)C(=O)[C@H](O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1
InChIInChI=1S/C21H20N4O3/c1-3-24(2)21(28)17(26)11-10-14-7-6-8-15(13-14)18-16-9-4-5-12-25(16)20(23-18)19(22)27/h4-9,12-13,17,26H,3H2,1-2H3,(H2,22,27)/t17-/m1/s1
InChIKeyMAFPPHSHDDNKCE-QGZVFWFLSA-N
XLogP1.29
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide
CID 144793574
1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134295241
1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 138559291
1-[3-[2-[(1R,4R,5S)-4-hydroxy-2-methyl-3-methylidene-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 157302261
ethyl 4-chloro-6-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]pyridine-2-carboxylate
CID 130268166
1-[3-[4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]-5-(hydroxymethyl)indazole-3-carboxamide
CID 144792839
7-chloro-1-[3-[(3S)-3-hydroxy-3-methylpent-4-en-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 144793368
(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134295356
1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-7-methoxyimidazo[1,5-a]pyridine-3-carboxamide
CID 123417549
3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 67216234
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
CID 163207395

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 144793006) is 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CCN(C)C(=O)[C@H](O)C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1.
What is the InChIKey of 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MAFPPHSHDDNKCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-24(2)21(28)17(26)11-10-14-7-6-8-15(13-14)18-16-9-4-5-12-25(16)20(23-18)19(22)27/h4-9,12-13,17,26H,3H2,1-2H3,(H2,22,27)/t17-/m1/s1.
What are the key properties of 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 144793006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).