6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one

C52H53Cl2F6N17O9 — CID 159193077

About 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one

6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one (PubChem CID 159193077) has the molecular formula C52H53Cl2F6N17O9 and a molecular weight of 1245.00 g/mol. Its IUPAC name is 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one
• PubChem CID: 159193077
• Molecular Formula: C52H53Cl2F6N17O9
• Molecular Weight: 1245.00 g/mol
• Exact Mass: 1243.35
• IUPAC Name: 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one
• SMILES: CC(=O)CC(F)(F)F.CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.CCC1(C)NC(=O)c2ccc(Cl)c(=O)n21.CCC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1
• InChI: InChI=1S/C14H12F3N5O2.C14H15N5O2.C10H11ClN2O2.C6H5ClN2O2.C4H5F3O.C4H5N3/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10;1-3-14(2)18-12(20)10-5-4-9(13(21)19(10)14)17-11-6-7-15-8-16-11;1-3-10(2)12-8(14)7-5-4-6(11)9(15)13(7)10;7-3-1-2-4(5(8)10)9-6(3)11;1-3(8)2-4(5,6)7;5-4-1-2-6-3-7-4/h2-5,7H,6H2,1H3,(H,21,23)(H,18,19,20);4-8H,3H2,1-2H3,(H,18,20)(H,15,16,17);4-5H,3H2,1-2H3,(H,12,14);1-2H,(H2,8,10)(H,9,11);2H2,1H3;1-3H,(H2,5,6,7)
• InChIKey: KOIHPAILFRMJEA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 373.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1245.00
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one?

The IUPAC name of 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one (CID 159193077) is 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one.

What is the SMILES notation for 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one?

The canonical SMILES for 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one is CC(=O)CC(F)(F)F.CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.CCC1(C)NC(=O)c2ccc(Cl)c(=O)n21.CCC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1.

What is the InChIKey of 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one?

The InChIKey is KOIHPAILFRMJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2.C14H15N5O2.C10H11ClN2O2.C6H5ClN2O2.C4H5F3O.C4H5N3/c1-13(6-14(15,16)17)21-11(23)9-3-2-8(12(24)22(9)13)20-10-4-5-18-7-19-10;1-3-14(2)18-12(20)10-5-4-9(13(21)19(10)14)17-11-6-7-15-8-16-11;1-3-10(2)12-8(14)7-5-4-6(11)9(15)13(7)10;7-3-1-2-4(5(8)10)9-6(3)11;1-3(8)2-4(5,6)7;5-4-1-2-6-3-7-4/h2-5,7H,6H2,1H3,(H,21,23)(H,18,19,20);4-8H,3H2,1-2H3,(H,18,20)(H,15,16,17);4-5H,3H2,1-2H3,(H,12,14);1-2H,(H2,8,10)(H,9,11);2H2,1H3;1-3H,(H2,5,6,7).

What are the key properties of 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one?

6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one has a molecular weight of 1245.00 g/mol, XLogP of 6.00, 9 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-ethyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;3-ethyl-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine;4,4,4-trifluorobutan-2-one is sourced from PubChem (CID 159193077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).