4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C75H79N11O15 — CID 159137021

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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 159137021) has the molecular formula C75H79N11O15 and a molecular weight of 1374.52 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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159137021
• Molecular Formula: C75H79N11O15
• Molecular Weight: 1374.52 g/mol
• Exact Mass: 1373.58
• 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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.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/C20H25NO4.C19H13N5O4.C19H21N3O2.C17H20N2O5/c1-24-17-7-6-15(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;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);4-5,8,13H,6-7,9H2,1-3H3,(H,18,20)
• InChIKey: KHPUYWZDJJOEOB-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 335.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.52
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid;2-cyclopropyl-4-[(3,5-dimethyl-4-pyridinyl)methoxy]-7-methoxy-1H-benzimidazole;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 159137021) 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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(C(=O)Nc2c(C)noc2C)cc1OC1CCOC1.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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is KHPUYWZDJJOEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4.C19H13N5O4.C19H21N3O2.C17H20N2O5/c1-24-17-7-6-15(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;1-10-16(11(2)24-19-10)18-17(20)12-4-5-14(21-3)15(8-12)23-13-6-7-22-9-13/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);1-11H,12H2;6-9,13H,4-5,10H2,1-3H3,(H,21,22);4-5,8,13H,6-7,9H2,1-3H3,(H,18,20).

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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1374.52 g/mol, XLogP of 12.71, 19 rotatable bonds, 3 hydrogen bond donors, and 22 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;N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-3-(oxolan-3-yloxy)benzamide;1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159137021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).