2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C130H122F21N37O10S4 — CID 158289268

IUPAC2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCN(CC)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.COc1cccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)n1.Cc1cc(-c2ccsc2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(N2CCCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1cc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)cs1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)s1.[C-]#[N+]c1csc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)c1
InChIInChI=1S/C20H25F3N6O2.C19H23F3N6O2.C19H18F3N5O2.4C18H14F3N5OS/c1-11(2)27-7-4-8-28(19(27)31)14-9-12(3)29-10-24-15(17(29)25-14)18(30)26-16(13-5-6-13)20(21,22)23;1-3-12-9-13(27-8-7-26(4-2)18(27)30)24-16-14(23-10-28(12)16)17(29)25-15(11-5-6-11)19(20,21)22;1-10-8-13(12-4-3-5-14(24-12)29-2)25-17-15(23-9-27(10)17)18(28)26-16(11-6-7-11)19(20,21)22;1-9-5-12(13-6-11(22-2)7-28-13)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-13(22-2)28-7-11)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;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;1-9-6-12(11-4-5-28-13(11)7-22)24-16-14(23-8-26(9)16)17(27)25-15(10-2-3-10)18(19,20)21/h9-11,13,16H,4-8H2,1-3H3,(H,26,30);9-11,15H,3-8H2,1-2H3,(H,25,29);3-5,8-9,11,16H,6-7H2,1-2H3,(H,26,28);3*5-8,10,15H,3-4H2,1H3,(H,25,27);4-6,8,10,15H,2-3H2,1H3,(H,25,27)
InChIKeyGLDQRRSTLIHOIY-UHFFFAOYSA-N
MW2889.88 g/mol
LogP25.82
Rot. Bonds32

About 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 158289268) has the molecular formula C130H122F21N37O10S4 and a molecular weight of 2889.88 g/mol. Its IUPAC name is 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID158289268
Molecular FormulaC130H122F21N37O10S4
Molecular Weight2889.88 g/mol
Exact Mass2887.87
IUPAC Name2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCN(CC)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.COc1cccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)n1.Cc1cc(-c2ccsc2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(N2CCCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1cc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)cs1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)s1.[C-]#[N+]c1csc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)c1
InChIInChI=1S/C20H25F3N6O2.C19H23F3N6O2.C19H18F3N5O2.4C18H14F3N5OS/c1-11(2)27-7-4-8-28(19(27)31)14-9-12(3)29-10-24-15(17(29)25-14)18(30)26-16(13-5-6-13)20(21,22)23;1-3-12-9-13(27-8-7-26(4-2)18(27)30)24-16-14(23-10-28(12)16)17(29)25-15(11-5-6-11)19(20,21)22;1-10-8-13(12-4-3-5-14(24-12)29-2)25-17-15(23-9-27(10)17)18(28)26-16(11-6-7-11)19(20,21)22;1-9-5-12(13-6-11(22-2)7-28-13)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-13(22-2)28-7-11)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;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;1-9-6-12(11-4-5-28-13(11)7-22)24-16-14(23-8-26(9)16)17(27)25-15(10-2-3-10)18(19,20)21/h9-11,13,16H,4-8H2,1-3H3,(H,26,30);9-11,15H,3-8H2,1-2H3,(H,25,29);3-5,8-9,11,16H,6-7H2,1-2H3,(H,26,28);3*5-8,10,15H,3-4H2,1H3,(H,25,27);4-6,8,10,15H,2-3H2,1H3,(H,25,27)
InChIKeyGLDQRRSTLIHOIY-UHFFFAOYSA-N
XLogP25.82
TPSA521.12 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds32
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.88
LogP ≤ 525.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 158289268) is 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is CCc1cc(N2CCN(CC)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.COc1cccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)n1.Cc1cc(-c2ccsc2C#N)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(N2CCCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.[C-]#[N+]c1cc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)cs1.[C-]#[N+]c1ccc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)s1.[C-]#[N+]c1csc(-c2cc(C)n3cnc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)c1.
What is the InChIKey of 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is GLDQRRSTLIHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2.C19H23F3N6O2.C19H18F3N5O2.4C18H14F3N5OS/c1-11(2)27-7-4-8-28(19(27)31)14-9-12(3)29-10-24-15(17(29)25-14)18(30)26-16(13-5-6-13)20(21,22)23;1-3-12-9-13(27-8-7-26(4-2)18(27)30)24-16-14(23-10-28(12)16)17(29)25-15(11-5-6-11)19(20,21)22;1-10-8-13(12-4-3-5-14(24-12)29-2)25-17-15(23-9-27(10)17)18(28)26-16(11-6-7-11)19(20,21)22;1-9-5-12(13-6-11(22-2)7-28-13)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;1-9-5-12(11-6-13(22-2)28-7-11)24-16-14(23-8-26(9)16)17(27)25-15(10-3-4-10)18(19,20)21;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;1-9-6-12(11-4-5-28-13(11)7-22)24-16-14(23-8-26(9)16)17(27)25-15(10-2-3-10)18(19,20)21/h9-11,13,16H,4-8H2,1-3H3,(H,26,30);9-11,15H,3-8H2,1-2H3,(H,25,29);3-5,8-9,11,16H,6-7H2,1-2H3,(H,26,28);3*5-8,10,15H,3-4H2,1H3,(H,25,27);4-6,8,10,15H,2-3H2,1H3,(H,25,27).
What are the key properties of 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 2889.88 g/mol, XLogP of 25.82, 32 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanothiophen-3-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(3-ethyl-2-oxoimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(5-isocyanothiophen-3-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(6-methoxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(2-oxo-3-propan-2-yl-1,3-diazinan-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 158289268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).