N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

C64H64F2N18O4 — CID 158041351

IUPACN-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3cccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C23H25FN6O.C21H19FN6O.C20H20N6O2/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-7-16(25(3)24-12)15-9-22-20(26-10-13(2)23-19(15)26)21-8-14-5-4-6-17-18(14)28-11-27-17/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);4-7,9-10H,8,11H2,1-3H3,(H,21,22)
InChIKeyFIJUFIUNIGGSRW-UHFFFAOYSA-N
MW1187.33 g/mol
LogP11.81
Rot. Bonds13

About N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine

N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158041351) has the molecular formula C64H64F2N18O4 and a molecular weight of 1187.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID158041351
Molecular FormulaC64H64F2N18O4
Molecular Weight1187.33 g/mol
Exact Mass1186.53
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3cccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1
InChIInChI=1S/C23H25FN6O.C21H19FN6O.C20H20N6O2/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-7-16(25(3)24-12)15-9-22-20(26-10-13(2)23-19(15)26)21-8-14-5-4-6-17-18(14)28-11-27-17/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);4-7,9-10H,8,11H2,1-3H3,(H,21,22)
InChIKeyFIJUFIUNIGGSRW-UHFFFAOYSA-N
XLogP11.81
TPSA220.95 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.33
LogP ≤ 511.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

US11220509, Example 28
CID 156050897
US11091495, Example 18
CID 156050979
US12252493, Example 24
CID 155382878
N-[(5-fluoro-1-benzofuran-4-yl)methyl]-5-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 153523107
[5-Fluoro-4-[[[8-(5-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]methyl 8-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]imidazo[1,2-a]pyridine-5-carboxylate
CID 156107962
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 157298951
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158154707
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;2,3-dimethylthiophene;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine;2,3,5-trimethylfuran;1,2-xylene
CID 160047838
7-N-[(2-acetylphenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160524935
N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide;4-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide;1-(difluoromethyl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-3-isoquinolin-5-ylpyrazole-4-carboxamide;N-(3,4-dioxopentan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
CID 161398236
1,3-benzodioxole;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;tetradecakis(2,2-dimethylpropane);imidazo[1,2-a]pyridine;imidazo[1,2-b]pyridazine;1-methylbenzimidazole;1-methylbenzotriazole;1-methyl-5,6-dihydro-4H-indazol-7-one;bis(1-methylimidazole);1-methylindazole;1-methylpyrazole;1-methylpyrrole
CID 161948253
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N-[[4-[[[2-cyano-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]methyl]-N-methylbenzamide
CID 166671673

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 158041351) is N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(C(C)C)c3C)c2n1.Cc1cn2c(NCc3c(F)ccc4occc34)ncc(-c3cc(C)nn3C)c2n1.Cc1cn2c(NCc3cccc4c3OCO4)ncc(-c3cc(C)nn3C)c2n1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is FIJUFIUNIGGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C21H19FN6O.C20H20N6O2/c1-13(2)30-15(4)17(11-27-30)19-10-26-23(29-12-14(3)28-22(19)29)25-9-18-16-7-8-31-21(16)6-5-20(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22;1-12-7-16(25(3)24-12)15-9-22-20(26-10-13(2)23-19(15)26)21-8-14-5-4-6-17-18(14)28-11-27-17/h5-6,10-13H,7-9H2,1-4H3,(H,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24);4-7,9-10H,8,11H2,1-3H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine?
N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1187.33 g/mol, XLogP of 11.81, 13 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158041351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).