bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C114H120Br2N30O13 — CID 159532964

IUPACbis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C24H26N6O3.C23H24N6O3.C22H23BrN6O2.C21H21BrN6O2/c2*1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h2*3-4,11-14H,5-10,25H2,1-2H3;2-5,12-14H,6-11,24H2,1H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2
InChIKeyMDFQOKFLJRLVKG-UHFFFAOYSA-N
MW2278.22 g/mol
LogP14.25
Rot. Bonds28

About bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159532964) has the molecular formula C114H120Br2N30O13 and a molecular weight of 2278.22 g/mol. Its IUPAC name is bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Namebis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159532964
Molecular FormulaC114H120Br2N30O13
Molecular Weight2278.22 g/mol
Exact Mass2274.80
IUPAC Namebis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/2C24H26N6O3.C23H24N6O3.C22H23BrN6O2.C21H21BrN6O2/c2*1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h2*3-4,11-14H,5-10,25H2,1-2H3;2-5,12-14H,6-11,24H2,1H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2
InChIKeyMDFQOKFLJRLVKG-UHFFFAOYSA-N
XLogP14.25
TPSA505.21 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002278.22
LogP ≤ 514.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[7-Amino-3-(6-fluoroquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70217920
1-[7-Amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 68072226
1-[7-Amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70217281
7-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157257331
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 157383023
(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 159795786
(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160613270

Frequently Asked Questions

What is the IUPAC name of bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159532964) is bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MDFQOKFLJRLVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N6O3.C23H24N6O3.C22H23BrN6O2.C21H21BrN6O2/c2*1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-15(30)20-21(24)29-22(27-23(20)32-11-8-28-6-9-31-10-7-28)18(14-26-29)17-12-16-4-2-3-5-19(16)25-13-17;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h2*3-4,11-14H,5-10,25H2,1-2H3;2-5,12-14H,6-11,24H2,1H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2.
What are the key properties of bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2278.22 g/mol, XLogP of 14.25, 28 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone);1-[7-amino-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159532964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).