1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C25H32N4O4 — CID 90734835

IUPAC1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=C3C=CC=CN3C(C(=O)NC3(CO)CCOCC3)N2)cc1
InChIInChI=1S/C25H32N4O4/c1-3-28(4-2)24(32)19-10-8-18(9-11-19)21-20-7-5-6-14-29(20)22(26-21)23(31)27-25(17-30)12-15-33-16-13-25/h5-11,14,22,26,30H,3-4,12-13,15-17H2,1-2H3,(H,27,31)
InChIKeyMEWSMXVUUWAYPS-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.81
Rot. Bonds7

About 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 90734835) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID90734835
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2=C3C=CC=CN3C(C(=O)NC3(CO)CCOCC3)N2)cc1
InChIInChI=1S/C25H32N4O4/c1-3-28(4-2)24(32)19-10-8-18(9-11-19)21-20-7-5-6-14-29(20)22(26-21)23(31)27-25(17-30)12-15-33-16-13-25/h5-11,14,22,26,30H,3-4,12-13,15-17H2,1-2H3,(H,27,31)
InChIKeyMEWSMXVUUWAYPS-UHFFFAOYSA-N
XLogP1.81
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91556624
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91047712
8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91103267
1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91188533
1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 90965670
N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpyrrolidine-3-carboxamide
CID 106298994
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 90734835) is 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(C2=C3C=CC=CN3C(C(=O)NC3(CO)CCOCC3)N2)cc1.
What is the InChIKey of 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MEWSMXVUUWAYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-28(4-2)24(32)19-10-8-18(9-11-19)21-20-7-5-6-14-29(20)22(26-21)23(31)27-25(17-30)12-15-33-16-13-25/h5-11,14,22,26,30H,3-4,12-13,15-17H2,1-2H3,(H,27,31).
What are the key properties of 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90734835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).