7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C139H122N24O24 — CID 160935841

IUPAC7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H24N4O2.C23H22N4O2.2C22H20N4O2.2C21H18N4O2.6CO2/c1-3-4-6-16-7-5-8-18(13-16)28-20(29)14-19-21(22(25)30)26-23(27-24(19)28)17-11-9-15(2)10-12-17;1-3-5-15-6-4-7-17(12-15)27-19(28)13-18-20(21(24)29)25-22(26-23(18)27)16-10-8-14(2)9-11-16;2*1-3-14-5-4-6-16(11-14)26-18(27)12-17-19(20(23)28)24-21(25-22(17)26)15-9-7-13(2)8-10-15;2*1-12-6-8-14(9-7-12)20-23-18(19(22)27)16-11-17(26)25(21(16)24-20)15-5-3-4-13(2)10-15;6*2-1-3/h5,7-13H,3-4,6,14H2,1-2H3,(H2,25,30);4,6-12H,3,5,13H2,1-2H3,(H2,24,29);2*4-11H,3,12H2,1-2H3,(H2,23,28);2*3-10H,11H2,1-2H3,(H2,22,27);;;;;;
InChIKeySTWBGUGRYWVTQT-UHFFFAOYSA-N
MW2512.65 g/mol
LogP17.17
Rot. Bonds25

About 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 160935841) has the molecular formula C139H122N24O24 and a molecular weight of 2512.65 g/mol. Its IUPAC name is 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID160935841
Molecular FormulaC139H122N24O24
Molecular Weight2512.65 g/mol
Exact Mass2510.91
IUPAC Name7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H24N4O2.C23H22N4O2.2C22H20N4O2.2C21H18N4O2.6CO2/c1-3-4-6-16-7-5-8-18(13-16)28-20(29)14-19-21(22(25)30)26-23(27-24(19)28)17-11-9-15(2)10-12-17;1-3-5-15-6-4-7-17(12-15)27-19(28)13-18-20(21(24)29)25-22(26-23(18)27)16-10-8-14(2)9-11-16;2*1-3-14-5-4-6-16(11-14)26-18(27)12-17-19(20(23)28)24-21(25-22(17)26)15-9-7-13(2)8-10-15;2*1-12-6-8-14(9-7-12)20-23-18(19(22)27)16-11-17(26)25(21(16)24-20)15-5-3-4-13(2)10-15;6*2-1-3/h5,7-13H,3-4,6,14H2,1-2H3,(H2,25,30);4,6-12H,3,5,13H2,1-2H3,(H2,24,29);2*4-11H,3,12H2,1-2H3,(H2,23,28);2*3-10H,11H2,1-2H3,(H2,22,27);;;;;;
InChIKeySTWBGUGRYWVTQT-UHFFFAOYSA-N
XLogP17.17
TPSA739.92 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002512.65
LogP ≤ 517.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 160935841) is 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CCCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.CCc1cccc(N2C(=O)Cc3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.Cc1ccc(-c2nc(C(N)=O)c3c(n2)N(c2cccc(C)c2)C(=O)C3)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is STWBGUGRYWVTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C23H22N4O2.2C22H20N4O2.2C21H18N4O2.6CO2/c1-3-4-6-16-7-5-8-18(13-16)28-20(29)14-19-21(22(25)30)26-23(27-24(19)28)17-11-9-15(2)10-12-17;1-3-5-15-6-4-7-17(12-15)27-19(28)13-18-20(21(24)29)25-22(26-23(18)27)16-10-8-14(2)9-11-16;2*1-3-14-5-4-6-16(11-14)26-18(27)12-17-19(20(23)28)24-21(25-22(17)26)15-9-7-13(2)8-10-15;2*1-12-6-8-14(9-7-12)20-23-18(19(22)27)16-11-17(26)25(21(16)24-20)15-5-3-4-13(2)10-15;6*2-1-3/h5,7-13H,3-4,6,14H2,1-2H3,(H2,25,30);4,6-12H,3,5,13H2,1-2H3,(H2,24,29);2*4-11H,3,12H2,1-2H3,(H2,23,28);2*3-10H,11H2,1-2H3,(H2,22,27);;;;;;.
What are the key properties of 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 2512.65 g/mol, XLogP of 17.17, 25 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-butylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;hexakis(carbon dioxide);bis(7-(3-ethylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);bis(7-(3-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide);2-(4-methylphenyl)-6-oxo-7-(3-propylphenyl)-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 160935841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).