3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H24N4O4 — CID 109076825

IUPAC3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2c1CCCC2
InChIInChI=1S/C20H24N4O4/c1-20(2,3)23-18(25)16-13-6-4-5-9-24(13)17(22-16)19(26)21-12-7-8-14-15(10-12)28-11-27-14/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyPWNUESGYTIIBND-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.73
Rot. Bonds3

About 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076825) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076825
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2c1CCCC2
InChIInChI=1S/C20H24N4O4/c1-20(2,3)23-18(25)16-13-6-4-5-9-24(13)17(22-16)19(26)21-12-7-8-14-15(10-12)28-11-27-14/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyPWNUESGYTIIBND-UHFFFAOYSA-N
XLogP2.73
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076819
1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776
1-N-tert-butyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076793
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076390
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073984
1-N-(3,4-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077566
1-N-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778
N-(1,3-benzodioxol-5-yl)-3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 171133071
1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077486
1-N-butyl-3-N-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073419
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20904944
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072528

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076825) is 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)(C)NC(=O)c1nc(C(=O)Nc2ccc3c(c2)OCO3)n2c1CCCC2.
What is the InChIKey of 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is PWNUESGYTIIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2,3)23-18(25)16-13-6-4-5-9-24(13)17(22-16)19(26)21-12-7-8-14-15(10-12)28-11-27-14/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).