methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C101H87N21O2 — CID 123169769

IUPACmethyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOC(=O)c1cc(-c2ccnc3ccccc23)c2ncc(-c3ccc(C)cc3)cn12.Cc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H24N6.2C25H22N6.C25H19N3O2/c1-18-2-7-23-22(8-9-28-25(23)14-18)24-16-30-32-17-20(15-29-26(24)32)19-3-5-21(6-4-19)31-12-10-27-11-13-31;1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;1-16-7-9-17(10-8-16)18-14-27-24-21(13-23(25(29)30-2)28(24)15-18)19-11-12-26-22-6-4-3-5-20(19)22/h2-9,14-17,27H,10-13H2,1H3;1-9,14-17,26H,10-13H2;1-10,15-17,26H,11-14H2;3-15H,1-2H3
InChIKeyJYEGXQRWDDCYMF-UHFFFAOYSA-N
MW1626.95 g/mol
LogP17.68
Rot. Bonds12

About methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 123169769) has the molecular formula C101H87N21O2 and a molecular weight of 1626.95 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID123169769
Molecular FormulaC101H87N21O2
Molecular Weight1626.95 g/mol
Exact Mass1625.74
IUPAC Namemethyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOC(=O)c1cc(-c2ccnc3ccccc23)c2ncc(-c3ccc(C)cc3)cn12.Cc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C26H24N6.2C25H22N6.C25H19N3O2/c1-18-2-7-23-22(8-9-28-25(23)14-18)24-16-30-32-17-20(15-29-26(24)32)19-3-5-21(6-4-19)31-12-10-27-11-13-31;1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;1-16-7-9-17(10-8-16)18-14-27-24-21(13-23(25(29)30-2)28(24)15-18)19-11-12-26-22-6-4-3-5-20(19)22/h2-9,14-17,27H,10-13H2,1H3;1-9,14-17,26H,10-13H2;1-10,15-17,26H,11-14H2;3-15H,1-2H3
InChIKeyJYEGXQRWDDCYMF-UHFFFAOYSA-N
XLogP17.68
TPSA231.54 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.95
LogP ≤ 517.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089
US11459329, Example 2
CID 151036600
N-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-3-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-6-carboxamide
CID 154991763
methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
CID 53391322
Methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate
CID 58173307
3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]-N-benzylpyrazole-1-carboxamide;methyl 4-[[3-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]pyrazole-1-carbonyl]amino]benzoate
CID 87151625
4-[6-(4-Piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-2-carboxylic acid
CID 117603123
[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]benzoyl] (2S)-pyrrolidine-2-carboxylate
CID 117728410
5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
CID 122446309
methyl 4-[4-[3-[3-methyl-5-[4-(3-piperidin-1-ylpropylamino)-9H-pyrimido[4,5-b]indol-7-yl]tetrazol-1-ium-1-yl]piperidin-1-yl]piperidin-1-yl]-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 123979067
[6-[2-[[2-acetamido-4-[6-[2-[(3-acetamidoanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]anilino]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 132035494
ethyl 3-methyl-5-[7-[4-[4-[4-(2-methylpyrazol-3-yl)-7-(piperidine-1-carbonyl)quinazolin-2-yl]phenyl]piperidine-1-carbonyl]quinoxalin-2-yl]-1H-indole-2-carboxylate
CID 135300350

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 123169769) is methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COC(=O)c1cc(-c2ccnc3ccccc23)c2ncc(-c3ccc(C)cc3)cn12.Cc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.c1cc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc(N2CCNCC2)c1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is JYEGXQRWDDCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6.2C25H22N6.C25H19N3O2/c1-18-2-7-23-22(8-9-28-25(23)14-18)24-16-30-32-17-20(15-29-26(24)32)19-3-5-21(6-4-19)31-12-10-27-11-13-31;1-2-7-24-22(6-1)21(8-9-27-24)23-16-29-31-17-19(15-28-25(23)31)18-4-3-5-20(14-18)30-12-10-26-11-13-30;1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30;1-16-7-9-17(10-8-16)18-14-27-24-21(13-23(25(29)30-2)28(24)15-18)19-11-12-26-22-6-4-3-5-20(19)22/h2-9,14-17,27H,10-13H2,1H3;1-9,14-17,26H,10-13H2;1-10,15-17,26H,11-14H2;3-15H,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 1626.95 g/mol, XLogP of 17.68, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 123169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).