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

C152H131F16N37O17S — CID 158493729

IUPAC2-(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
SMILESCc1cc(-c2ccc3c(c2)OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.Cc1cc(-c2cccc(C#N)c2F)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1cscc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C20H15F4N5O.3C20H20N4O3.3C18H14F3N5O2.C18H14F3N5OS/c1-10-7-14(13-4-2-3-12(8-25)15(13)21)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-11-7-15(14-5-6-16-17(8-14)27-10-26-16)23-19-18(21-9-24(11)19)20(25)22-12(2)13-3-4-13;2*1-11-8-15(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;3*1-9-7-11(12-5-6-13(22-2)28-12)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-28-7-13(11)22-2)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);5-9,12-13H,3-4,10H2,1-2H3,(H,22,25);2*3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25);4*5-8,10,15H,3-4H2,1H3,(H,25,27)/t;3*12-;2*15-;;/m.11010../s1
InChIKeyHJACTDJJMDJKSM-ZGTLGVNYSA-N
MW3084.00 g/mol
LogP28.82
Rot. Bonds32

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-[(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

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 (PubChem CID 158493729) has the molecular formula C152H131F16N37O17S and a molecular weight of 3084.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158493729
Molecular FormulaC152H131F16N37O17S
Molecular Weight3084.00 g/mol
Exact Mass3082.00
IUPAC Name2-(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
SMILESCc1cc(-c2ccc3c(c2)OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.Cc1cc(-c2cccc(C#N)c2F)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1cscc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C20H15F4N5O.3C20H20N4O3.3C18H14F3N5O2.C18H14F3N5OS/c1-10-7-14(13-4-2-3-12(8-25)15(13)21)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-11-7-15(14-5-6-16-17(8-14)27-10-26-16)23-19-18(21-9-24(11)19)20(25)22-12(2)13-3-4-13;2*1-11-8-15(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;3*1-9-7-11(12-5-6-13(22-2)28-12)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-28-7-13(11)22-2)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);5-9,12-13H,3-4,10H2,1-2H3,(H,22,25);2*3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25);4*5-8,10,15H,3-4H2,1H3,(H,25,27)/t;3*12-;2*15-;;/m.11010../s1
InChIKeyHJACTDJJMDJKSM-ZGTLGVNYSA-N
XLogP28.82
TPSA610.35 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003084.00
LogP ≤ 528.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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;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?
The IUPAC name 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-[(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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc3c(c2)OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.Cc1cc(-c2cccc(C#N)c2F)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@@H](C)C3CC3)ncn12.Cc1cc(-c2cccc3c2OCO3)nc2c(C(=O)N[C@H](C)C3CC3)ncn12.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)o1.[C-]#[N+]c1cscc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1.
What is the InChIKey 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-[(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?
The InChIKey is HJACTDJJMDJKSM-ZGTLGVNYSA-N. The full InChI is InChI=1S/C20H15F4N5O.3C20H20N4O3.3C18H14F3N5O2.C18H14F3N5OS/c1-10-7-14(13-4-2-3-12(8-25)15(13)21)27-18-16(26-9-29(10)18)19(30)28-17(11-5-6-11)20(22,23)24;1-11-7-15(14-5-6-16-17(8-14)27-10-26-16)23-19-18(21-9-24(11)19)20(25)22-12(2)13-3-4-13;2*1-11-8-15(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;3*1-9-7-11(12-5-6-13(22-2)28-12)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-28-7-13(11)22-2)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21/h2-4,7,9,11,17H,5-6H2,1H3,(H,28,30);5-9,12-13H,3-4,10H2,1-2H3,(H,22,25);2*3-5,8-9,12-13H,6-7,10H2,1-2H3,(H,22,25);4*5-8,10,15H,3-4H2,1H3,(H,25,27)/t;3*12-;2*15-;;/m.11010../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-[(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?
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 has a molecular weight of 3084.00 g/mol, XLogP of 28.82, 32 rotatable bonds, 8 hydrogen bond donors, and 43 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;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 is sourced from PubChem (CID 158493729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).