2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C61H61F9N16O6 — CID 159337387

IUPAC2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(OC3CC3)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C21H20F3N5O2.C20H25F3N6O2.C20H16F3N5O2/c1-11-9-15(14-3-2-4-16(26-14)31-13-7-8-13)27-19-17(25-10-29(11)19)20(30)28-18(12-5-6-12)21(22,23)24;1-4-13-9-14(28-8-7-27(11(2)3)19(28)31)25-17-15(24-10-29(13)17)18(30)26-16(12-5-6-12)20(21,22)23;1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,9-10,12-13,18H,5-8H2,1H3,(H,28,30);9-12,16H,4-8H2,1-3H3,(H,26,30);2-4,7-9,11,17H,5-6H2,1H3,(H,26,29)
InChIKeyLFSHKRXCQICTDO-UHFFFAOYSA-N
MW1285.25 g/mol
LogP10.64
Rot. Bonds16

About 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 159337387) has the molecular formula C61H61F9N16O6 and a molecular weight of 1285.25 g/mol. Its IUPAC name is 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID159337387
Molecular FormulaC61H61F9N16O6
Molecular Weight1285.25 g/mol
Exact Mass1284.48
IUPAC Name2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCCc1cc(N2CCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(OC3CC3)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C21H20F3N5O2.C20H25F3N6O2.C20H16F3N5O2/c1-11-9-15(14-3-2-4-16(26-14)31-13-7-8-13)27-19-17(25-10-29(11)19)20(30)28-18(12-5-6-12)21(22,23)24;1-4-13-9-14(28-8-7-27(11(2)3)19(28)31)25-17-15(24-10-29(13)17)18(30)26-16(12-5-6-12)20(21,22)23;1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,9-10,12-13,18H,5-8H2,1H3,(H,28,30);9-12,16H,4-8H2,1-3H3,(H,26,30);2-4,7-9,11,17H,5-6H2,1H3,(H,26,29)
InChIKeyLFSHKRXCQICTDO-UHFFFAOYSA-N
XLogP10.64
TPSA249.57 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms92
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.25
LogP ≤ 510.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 159337387) is 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is CCc1cc(N2CCN(C(C)C)C2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc(OC3CC3)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.Cc1cc(-c2cccc3conc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is LFSHKRXCQICTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2.C20H25F3N6O2.C20H16F3N5O2/c1-11-9-15(14-3-2-4-16(26-14)31-13-7-8-13)27-19-17(25-10-29(11)19)20(30)28-18(12-5-6-12)21(22,23)24;1-4-13-9-14(28-8-7-27(11(2)3)19(28)31)25-17-15(24-10-29(13)17)18(30)26-16(12-5-6-12)20(21,22)23;1-10-7-14(13-4-2-3-12-8-30-27-15(12)13)25-18-16(24-9-28(10)18)19(29)26-17(11-5-6-11)20(21,22)23/h2-4,9-10,12-13,18H,5-8H2,1H3,(H,28,30);9-12,16H,4-8H2,1-3H3,(H,26,30);2-4,7-9,11,17H,5-6H2,1H3,(H,26,29).
What are the key properties of 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 1285.25 g/mol, XLogP of 10.64, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-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-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159337387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).