6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine

C64H51Br2Cl4N21O9 — CID 161339790

IUPAC6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine
SMILESCC(=O)c1cccnc1.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1ccncn1
InChIInChI=1S/2C17H13ClN6O2.C13H9BrClN3O2.C7H7NO.C6H4BrClN2O2.C4H5N3/c2*1-17(10-3-2-5-19-8-10)23-15(25)14-11(18)7-12(16(26)24(14)17)22-13-4-6-20-9-21-13;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;1-6(9)7-3-2-4-8-5-7;7-2-1-3(8)4(5(9)11)10-6(2)12;5-4-1-2-6-3-7-4/h2*2-9H,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,17,19);2-5H,1H3;1H,(H2,9,11)(H,10,12);1-3H,(H2,5,6,7)
InChIKeyVMNBNURLTKVLGO-UHFFFAOYSA-N
MW1559.87 g/mol
LogP8.15
Rot. Bonds9

About 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine

6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine (PubChem CID 161339790) has the molecular formula C64H51Br2Cl4N21O9 and a molecular weight of 1559.87 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine
PubChem CID161339790
Molecular FormulaC64H51Br2Cl4N21O9
Molecular Weight1559.87 g/mol
Exact Mass1555.13
IUPAC Name6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine
SMILESCC(=O)c1cccnc1.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1ccncn1
InChIInChI=1S/2C17H13ClN6O2.C13H9BrClN3O2.C7H7NO.C6H4BrClN2O2.C4H5N3/c2*1-17(10-3-2-5-19-8-10)23-15(25)14-11(18)7-12(16(26)24(14)17)22-13-4-6-20-9-21-13;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;1-6(9)7-3-2-4-8-5-7;7-2-1-3(8)4(5(9)11)10-6(2)12;5-4-1-2-6-3-7-4/h2*2-9H,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,17,19);2-5H,1H3;1H,(H2,9,11)(H,10,12);1-3H,(H2,5,6,7)
InChIKeyVMNBNURLTKVLGO-UHFFFAOYSA-N
XLogP8.15
TPSA425.30 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001559.87
LogP ≤ 58.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine?
The IUPAC name of 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine (CID 161339790) is 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine is CC(=O)c1cccnc1.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Br)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.CC1(c2cccnc2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n21.NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1ccncn1.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine?
The InChIKey is VMNBNURLTKVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13ClN6O2.C13H9BrClN3O2.C7H7NO.C6H4BrClN2O2.C4H5N3/c2*1-17(10-3-2-5-19-8-10)23-15(25)14-11(18)7-12(16(26)24(14)17)22-13-4-6-20-9-21-13;1-13(7-3-2-4-16-6-7)17-11(19)10-9(15)5-8(14)12(20)18(10)13;1-6(9)7-3-2-4-8-5-7;7-2-1-3(8)4(5(9)11)10-6(2)12;5-4-1-2-6-3-7-4/h2*2-9H,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,17,19);2-5H,1H3;1H,(H2,9,11)(H,10,12);1-3H,(H2,5,6,7).
What are the key properties of 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine?
6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine has a molecular weight of 1559.87 g/mol, XLogP of 8.15, 9 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-methyl-3-pyridin-3-yl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(8-chloro-3-methyl-3-pyridin-3-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);1-pyridin-3-ylethanone;pyrimidin-4-amine is sourced from PubChem (CID 161339790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).