4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide

C133H128N18O16S3 — CID 158795929

About 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide

4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide (PubChem CID 158795929) has the molecular formula C133H128N18O16S3 and a molecular weight of 2330.80 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide.

Molecular Properties

• Compound Name: 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide
• PubChem CID: 158795929
• Molecular Formula: C133H128N18O16S3
• Molecular Weight: 2330.80 g/mol
• Exact Mass: 2328.89
• IUPAC Name: 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide
• SMILES: CC1=C(c2ccncc2)CC(c2ccccc2)=C1C(N)=O.Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)cc(C5=CC=NC5)n4CC(=O)N4CCOCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)cc(C5=CN=CC5)n4CC(=O)N4CCOCC4)ccc3n2)s1.Cn1c(-c2ccncc2)cc(-c2ccc(C(=O)O)cc2)c1-c1ccco1.Nc1nccc(C2=CC(C(=O)NCCc3ccccc3)=C(c3ccccc3)C2)n1.O=C=O.O=C=O.O=S(=O)=O
• InChI: InChI=1S/2C34H37N5O2S.C24H22N4O.C21H16N2O3.C18H16N2O.2CO2.O3S/c2*1-22-34(42-23(2)36-22)30-11-8-25-18-26(9-10-29(25)37-30)33-28(24-6-4-3-5-7-24)19-31(27-12-13-35-20-27)39(33)21-32(40)38-14-16-41-17-15-38;25-24-27-14-12-22(28-24)19-15-20(18-9-5-2-6-10-18)21(16-19)23(29)26-13-11-17-7-3-1-4-8-17;1-23-18(15-8-10-22-11-9-15)13-17(20(23)19-3-2-12-26-19)14-4-6-16(7-5-14)21(24)25;1-12-15(14-7-9-20-10-8-14)11-16(17(12)18(19)21)13-5-3-2-4-6-13;2*2-1-3;1-4(2)3/h8-11,13,18-20,24H,3-7,12,14-17,21H2,1-2H3;8-13,18-19,24H,3-7,14-17,20-21H2,1-2H3;1-10,12,14,16H,11,13,15H2,(H,26,29)(H2,25,27,28);2-13H,1H3,(H,24,25);2-10H,11H2,1H3,(H2,19,21)
• InChIKey: ISWBHZVOJCLAPN-UHFFFAOYSA-N
• XLogP: 23.38
• TPSA: 469.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.80
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide?

The IUPAC name of 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide (CID 158795929) is 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide.

What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide?

The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide is CC1=C(c2ccncc2)CC(c2ccccc2)=C1C(N)=O.Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)cc(C5=CC=NC5)n4CC(=O)N4CCOCC4)ccc3n2)s1.Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)cc(C5=CN=CC5)n4CC(=O)N4CCOCC4)ccc3n2)s1.Cn1c(-c2ccncc2)cc(-c2ccc(C(=O)O)cc2)c1-c1ccco1.Nc1nccc(C2=CC(C(=O)NCCc3ccccc3)=C(c3ccccc3)C2)n1.O=C=O.O=C=O.O=S(=O)=O.

What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide?

The InChIKey is ISWBHZVOJCLAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H37N5O2S.C24H22N4O.C21H16N2O3.C18H16N2O.2CO2.O3S/c2*1-22-34(42-23(2)36-22)30-11-8-25-18-26(9-10-29(25)37-30)33-28(24-6-4-3-5-7-24)19-31(27-12-13-35-20-27)39(33)21-32(40)38-14-16-41-17-15-38;25-24-27-14-12-22(28-24)19-15-20(18-9-5-2-6-10-18)21(16-19)23(29)26-13-11-17-7-3-1-4-8-17;1-23-18(15-8-10-22-11-9-15)13-17(20(23)19-3-2-12-26-19)14-4-6-16(7-5-14)21(24)25;1-12-15(14-7-9-20-10-8-14)11-16(17(12)18(19)21)13-5-3-2-4-6-13;2*2-1-3;1-4(2)3/h8-11,13,18-20,24H,3-7,12,14-17,21H2,1-2H3;8-13,18-19,24H,3-7,14-17,20-21H2,1-2H3;1-10,12,14,16H,11,13,15H2,(H,26,29)(H2,25,27,28);2-13H,1H3,(H,24,25);2-10H,11H2,1H3,(H2,19,21);;;.

What are the key properties of 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide?

4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide has a molecular weight of 2330.80 g/mol, XLogP of 23.38, 25 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminopyrimidin-4-yl)-2-phenyl-N-(2-phenylethyl)cyclopenta-1,4-diene-1-carboxamide;bis(carbon dioxide);2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(2H-pyrrol-3-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;2-[3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-(3H-pyrrol-4-yl)pyrrol-1-yl]-1-morpholin-4-ylethanone;4-[2-(furan-2-yl)-1-methyl-5-pyridin-4-ylpyrrol-3-yl]benzoic acid;5-methyl-2-phenyl-4-pyridin-4-ylcyclopenta-1,4-diene-1-carboxamide;sulfur trioxide is sourced from PubChem (CID 158795929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).