4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C161H186N14O30 — CID 159462971

About 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 159462971) has the molecular formula C161H186N14O30 and a molecular weight of 2797.33 g/mol. Its IUPAC name is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159462971
• Molecular Formula: C161H186N14O30
• Molecular Weight: 2797.33 g/mol
• Exact Mass: 2795.35
• IUPAC Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1
• InChI: InChI=1S/C21H27NO4.C21H25NO4.C21H27NO4.C20H25NO4.C20H23NO4.C20H25NO4.C19H13N5O4.C19H21N3O2/c2*1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2;1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15;2*1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;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;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13/h7-8,13,15,17H,3-6,9-12H2,1-2H3;7-9,13,17H,3-6,10-12H2,1-2H3;6-7,12,15-16H,3-5,8-11,13H2,1-2H3;5-6,11,14-15H,3-4,7-10,12H2,1-2H3;5-7,11,14H,3-4,8-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22)
• InChIKey: LUUZCAWWPCFLKM-UHFFFAOYSA-N
• XLogP: 29.33
• TPSA: 595.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 43
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2797.33
LogP ≤ 5	29.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 159462971) is 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCOC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1=CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1.COC(=O)C1CCC(C#N)(c2ccc(OC)c(OCC3CC3)c2)CC1.COc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1.COc1ccc(OCc2c(C)cncc2C)c2nc(C3CC3)[nH]c12.O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1.

What is the InChIKey of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is LUUZCAWWPCFLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4.C21H25NO4.C21H27NO4.C20H25NO4.C20H23NO4.C20H25NO4.C19H13N5O4.C19H21N3O2/c2*1-24-18-8-7-16(13-19(18)26-17-5-3-4-6-17)21(14-22)11-9-15(10-12-21)20(23)25-2;1-3-25-20(23)16-8-10-21(14-22,11-9-16)17-6-7-18(24-2)19(12-17)26-13-15-4-5-15;2*1-23-17-6-5-16(11-18(17)25-12-14-3-4-14)20(13-21)9-7-15(8-10-20)19(22)24-2;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;25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;1-11-8-20-9-12(2)14(11)10-24-16-7-6-15(23-3)17-18(16)22-19(21-17)13-4-5-13/h7-8,13,15,17H,3-6,9-12H2,1-2H3;7-9,13,17H,3-6,10-12H2,1-2H3;6-7,12,15-16H,3-5,8-11,13H2,1-2H3;5-6,11,14-15H,3-4,7-10,12H2,1-2H3;5-7,11,14H,3-4,8-10,12H2,1-2H3;6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22).

What are the key properties of 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2797.33 g/mol, XLogP of 29.33, 43 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;ethyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate;methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexene-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexane-1-carboxylate;methyl 4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexene-1-carboxylate;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159462971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).