1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H28N4O3 — CID 109072521

IUPAC1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccccc2OC(C)C)n2c1CCCC2
InChIInChI=1S/C21H28N4O3/c1-13(2)22-20(26)18-16-10-7-8-12-25(16)19(24-18)21(27)23-15-9-5-6-11-17(15)28-14(3)4/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyTUQDTGCBXPSVCX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.40
Rot. Bonds6

About 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072521) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109072521
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1nc(C(=O)Nc2ccccc2OC(C)C)n2c1CCCC2
InChIInChI=1S/C21H28N4O3/c1-13(2)22-20(26)18-16-10-7-8-12-25(16)19(24-18)21(27)23-15-9-5-6-11-17(15)28-14(3)4/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyTUQDTGCBXPSVCX-UHFFFAOYSA-N
XLogP3.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-tert-butyl-1-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076887
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
3-N-(3-methoxyphenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072516
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072528
methyl 2-[[1-(2-methylpropylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109073690
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072685
1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077503
3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077444
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
1-N-(2,6-dimethylphenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072643

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072521) is 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)NC(=O)c1nc(C(=O)Nc2ccccc2OC(C)C)n2c1CCCC2.
What is the InChIKey of 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is TUQDTGCBXPSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13(2)22-20(26)18-16-10-7-8-12-25(16)19(24-18)21(27)23-15-9-5-6-11-17(15)28-14(3)4/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).