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

C50H38Cl2F6N12O7 — CID 159840963

IUPAC6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine
SMILESCC(=O)c1cc(F)cc(F)c1.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Cl)c(=O)n21.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1
InChIInChI=1S/C18H13F2N5O2.C14H9ClF2N2O2.C8H6F2O.C6H5ClN2O2.C4H5N3/c1-18(10-6-11(19)8-12(20)7-10)24-16(26)14-3-2-13(17(27)25(14)18)23-15-4-5-21-9-22-15;1-14(7-4-8(16)6-9(17)5-7)18-12(20)11-3-2-10(15)13(21)19(11)14;1-5(11)6-2-7(9)4-8(10)3-6;7-3-1-2-4(5(8)10)9-6(3)11;5-4-1-2-6-3-7-4/h2-9H,1H3,(H,24,26)(H,21,22,23);2-6H,1H3,(H,18,20);2-4H,1H3;1-2H,(H2,8,10)(H,9,11);1-3H,(H2,5,6,7)
InChIKeyNORAZDGCDDTGOT-UHFFFAOYSA-N
MW1103.82 g/mol
LogP6.72
Rot. Bonds6

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

6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine (PubChem CID 159840963) has the molecular formula C50H38Cl2F6N12O7 and a molecular weight of 1103.82 g/mol. Its IUPAC name is 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine
PubChem CID159840963
Molecular FormulaC50H38Cl2F6N12O7
Molecular Weight1103.82 g/mol
Exact Mass1102.23
IUPAC Name6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine
SMILESCC(=O)c1cc(F)cc(F)c1.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Cl)c(=O)n21.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1
InChIInChI=1S/C18H13F2N5O2.C14H9ClF2N2O2.C8H6F2O.C6H5ClN2O2.C4H5N3/c1-18(10-6-11(19)8-12(20)7-10)24-16(26)14-3-2-13(17(27)25(14)18)23-15-4-5-21-9-22-15;1-14(7-4-8(16)6-9(17)5-7)18-12(20)11-3-2-10(15)13(21)19(11)14;1-5(11)6-2-7(9)4-8(10)3-6;7-3-1-2-4(5(8)10)9-6(3)11;5-4-1-2-6-3-7-4/h2-9H,1H3,(H,24,26)(H,21,22,23);2-6H,1H3,(H,18,20);2-4H,1H3;1-2H,(H2,8,10)(H,9,11);1-3H,(H2,5,6,7)
InChIKeyNORAZDGCDDTGOT-UHFFFAOYSA-N
XLogP6.72
TPSA284.83 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001103.82
LogP ≤ 56.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine?
The IUPAC name of 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine (CID 159840963) is 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine?
The canonical SMILES for 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine is CC(=O)c1cc(F)cc(F)c1.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Cl)c(=O)n21.CC1(c2cc(F)cc(F)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n21.NC(=O)c1ccc(Cl)c(=O)[nH]1.Nc1ccncn1.
What is the InChIKey of 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine?
The InChIKey is NORAZDGCDDTGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2.C14H9ClF2N2O2.C8H6F2O.C6H5ClN2O2.C4H5N3/c1-18(10-6-11(19)8-12(20)7-10)24-16(26)14-3-2-13(17(27)25(14)18)23-15-4-5-21-9-22-15;1-14(7-4-8(16)6-9(17)5-7)18-12(20)11-3-2-10(15)13(21)19(11)14;1-5(11)6-2-7(9)4-8(10)3-6;7-3-1-2-4(5(8)10)9-6(3)11;5-4-1-2-6-3-7-4/h2-9H,1H3,(H,24,26)(H,21,22,23);2-6H,1H3,(H,18,20);2-4H,1H3;1-2H,(H2,8,10)(H,9,11);1-3H,(H2,5,6,7).
What are the key properties of 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine?
6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine has a molecular weight of 1103.82 g/mol, XLogP of 6.72, 6 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine is sourced from PubChem (CID 159840963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).