3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione

C112H127N15O23 — CID 160650528

About 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione

3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione (PubChem CID 160650528) has the molecular formula C112H127N15O23 and a molecular weight of 2051.33 g/mol. Its IUPAC name is 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione
• PubChem CID: 160650528
• Molecular Formula: C112H127N15O23
• Molecular Weight: 2051.33 g/mol
• Exact Mass: 2049.92
• IUPAC Name: 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione
• SMILES: COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC1CC2CCC1C2.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(CNc2c(C)noc2C)cc1OC1CCOC1.O=c1c2[nH]cnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1
• InChI: InChI=1S/C21H29NO5.C20H26N2O3.C20H25NO4.C17H11N5O4.C17H14N4O3.C17H22N2O4/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-13(12-22-8-7-21-20(22)23)15-5-6-17(24-2)19(11-15)25-18-10-14-3-4-16(18)9-14;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;23-16-14-15(19-10-18-14)20(12-7-4-8-13(9-12)22(25)26)17(24)21(16)11-5-2-1-3-6-11;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-11-17(12(2)23-19-11)18-9-13-4-5-15(20-3)16(8-13)22-14-6-7-21-10-14/h9-11,16-17H,5-8,12-13H2,1-4H3;5-8,11,13-14,16,18H,3-4,9-10,12H2,1-2H3,(H,21,23);6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-10H,(H,18,19);1-5,8-9,11H,6-7,10H2;4-5,8,14,18H,6-7,9-10H2,1-3H3/t17-,21-;;;;;/m0...../s1
• InChIKey: RKIXJLRKDGNBIK-PRFMOFMXSA-N
• XLogP: 19.02
• TPSA: 473.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2051.33
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione?

The IUPAC name of 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione (CID 160650528) is 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione.

What is the SMILES notation for 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione?

The canonical SMILES for 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione is COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC1CC2CCC1C2.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(CNc2c(C)noc2C)cc1OC1CCOC1.O=c1c2[nH]cnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1.O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1CC1CC1.

What is the InChIKey of 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione?

The InChIKey is RKIXJLRKDGNBIK-PRFMOFMXSA-N. The full InChI is InChI=1S/C21H29NO5.C20H26N2O3.C20H25NO4.C17H11N5O4.C17H14N4O3.C17H22N2O4/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-13(12-22-8-7-21-20(22)23)15-5-6-17(24-2)19(11-15)25-18-10-14-3-4-16(18)9-14;1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;23-16-14-15(19-10-18-14)20(12-7-4-8-13(9-12)22(25)26)17(24)21(16)11-5-2-1-3-6-11;22-17-14-5-2-8-18-16(14)15(19-20(17)10-11-6-7-11)12-3-1-4-13(9-12)21(23)24;1-11-17(12(2)23-19-11)18-9-13-4-5-15(20-3)16(8-13)22-14-6-7-21-10-14/h9-11,16-17H,5-8,12-13H2,1-4H3;5-8,11,13-14,16,18H,3-4,9-10,12H2,1-2H3,(H,21,23);6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-10H,(H,18,19);1-5,8-9,11H,6-7,10H2;4-5,8,14,18H,6-7,9-10H2,1-3H3/t17-,21-;;;;;/m0...../s1.

What are the key properties of 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione?

3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione has a molecular weight of 2051.33 g/mol, XLogP of 19.02, 29 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one;4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;6-(cyclopropylmethyl)-8-(3-nitrophenyl)pyrido[2,3-d]pyridazin-5-one;N-[[4-methoxy-3-(oxolan-3-yloxy)phenyl]methyl]-3,5-dimethyl-1,2-oxazol-4-amine;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;3-(3-nitrophenyl)-1-phenyl-7H-purine-2,6-dione is sourced from PubChem (CID 160650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).