1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C23H22N4O3 — CID 134295241

IUPAC1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)C(O)(C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1)C1CCC1
InChIInChI=1S/C23H22N4O3/c1-25-22(29)23(30,17-8-5-9-17)12-11-15-6-4-7-16(14-15)19-18-10-2-3-13-27(18)21(26-19)20(24)28/h2-4,6-7,10,13-14,17,30H,5,8-9H2,1H3,(H2,24,28)(H,25,29)
InChIKeyOKHFZUYHPJTIBL-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.73
Rot. Bonds4

About 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 134295241) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID134295241
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)C(O)(C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1)C1CCC1
InChIInChI=1S/C23H22N4O3/c1-25-22(29)23(30,17-8-5-9-17)12-11-15-6-4-7-16(14-15)19-18-10-2-3-13-27(18)21(26-19)20(24)28/h2-4,6-7,10,13-14,17,30H,5,8-9H2,1H3,(H2,24,28)(H,25,29)
InChIKeyOKHFZUYHPJTIBL-UHFFFAOYSA-N
XLogP1.73
TPSA109.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 134295241) is 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CNC(=O)C(O)(C#Cc1cccc(-c2nc(C(N)=O)n3ccccc23)c1)C1CCC1.
What is the InChIKey of 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OKHFZUYHPJTIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-25-22(29)23(30,17-8-5-9-17)12-11-15-6-4-7-16(14-15)19-18-10-2-3-13-27(18)21(26-19)20(24)28/h2-4,6-7,10,13-14,17,30H,5,8-9H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-cyclobutyl-3-hydroxy-4-(methylamino)-4-oxobut-1-ynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134295241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).