2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C20H20N4O3 — CID 131987676

IUPAC2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12
InChIInChI=1S/C20H20N4O3/c1-11-8-15(14-4-3-5-16-18(14)27-10-26-16)23-19-17(21-9-24(11)19)20(25)22-12(2)13-6-7-13/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyIFTDTSUQGNTEQU-GFCCVEGCSA-N
MW364.41 g/mol
LogP2.96
Rot. Bonds4

About 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide

2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987676) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987676
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12
InChIInChI=1S/C20H20N4O3/c1-11-8-15(14-4-3-5-16-18(14)27-10-26-16)23-19-17(21-9-24(11)19)20(25)22-12(2)13-6-7-13/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyIFTDTSUQGNTEQU-GFCCVEGCSA-N
XLogP2.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzodioxol-4-yl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-cyano-2-fluorophenyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(5-isocyanofuran-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(5-isocyanofuran-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanofuran-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 158493729
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382238
N-(3-cyclopropylbutan-2-yl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987619
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987871
2-chloro-N-(1-cyclopropylethyl)-4-ethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987930
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987791

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987676) is 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is IFTDTSUQGNTEQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-8-15(14-4-3-5-16-18(14)27-10-26-16)23-19-17(21-9-24(11)19)20(25)22-12(2)13-6-7-13/h3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).