1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide

C126H147ClN16O10 — CID 159136727

About 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide

1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide (PubChem CID 159136727) has the molecular formula C126H147ClN16O10 and a molecular weight of 2081.12 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
• PubChem CID: 159136727
• Molecular Formula: C126H147ClN16O10
• Molecular Weight: 2081.12 g/mol
• Exact Mass: 2079.12
• IUPAC Name: 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
• SMILES: CCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.CNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3CC(CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(Cl)c2)C1
• InChI: InChI=1S/C36H41N3O3.C31H37N5O2.C30H34ClN5O2.C29H35N3O3/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;1-21-14-24(10-12-32-21)29-16-23(11-13-38-4)15-25(29)17-28(37)18-30-22(2)31(26-19-33-35(3)20-26)34-36(30)27-8-6-5-7-9-27;1-20-28(36(25-7-5-4-6-8-25)34-30(20)24-18-33-35(2)19-24)17-26(37)15-23-13-21(10-12-38-3)14-27(23)22-9-11-32-29(31)16-22;1-30-29(34)23-11-9-22(10-12-23)28-19-25(32(2)31-28)18-26(33)17-24-15-20(13-14-35-3)16-27(24)21-7-5-4-6-8-21/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);5-10,12,14,19-20,23,25,29H,11,13,15-18H2,1-4H3;4-9,11,16,18-19,21,23,27H,10,12-15,17H2,1-3H3;4-12,19-20,24,27H,13-18H2,1-3H3,(H,30,34)/t26-,30+,33+;23-,25+,29+;21-,23+,27+;20?,24-,27-/m1110/s1
• InChIKey: KHOWXBCINLEBCC-IKINEYIFSA-N
• XLogP: 23.35
• TPSA: 296.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.12
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The IUPAC name of 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide (CID 159136727) is 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide.

What is the SMILES notation for 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The canonical SMILES for 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide is CCNC(=O)c1ccc(-c2nn(-c3ccccc3)c(CC(=O)C[C@@H]3C[C@@H](CCOC)C[C@H]3c3ccccc3)c2C)cc1.CNC(=O)c1ccc(-c2cc(CC(=O)C[C@@H]3CC(CCOC)C[C@H]3c3ccccc3)n(C)n2)cc1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(Cl)c2)C1.

What is the InChIKey of 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

The InChIKey is KHOWXBCINLEBCC-IKINEYIFSA-N. The full InChI is InChI=1S/C36H41N3O3.C31H37N5O2.C30H34ClN5O2.C29H35N3O3/c1-4-37-36(41)29-17-15-28(16-18-29)35-25(2)34(39(38-35)31-13-9-6-10-14-31)24-32(40)23-30-21-26(19-20-42-3)22-33(30)27-11-7-5-8-12-27;1-21-14-24(10-12-32-21)29-16-23(11-13-38-4)15-25(29)17-28(37)18-30-22(2)31(26-19-33-35(3)20-26)34-36(30)27-8-6-5-7-9-27;1-20-28(36(25-7-5-4-6-8-25)34-30(20)24-18-33-35(2)19-24)17-26(37)15-23-13-21(10-12-38-3)14-27(23)22-9-11-32-29(31)16-22;1-30-29(34)23-11-9-22(10-12-23)28-19-25(32(2)31-28)18-26(33)17-24-15-20(13-14-35-3)16-27(24)21-7-5-4-6-8-21/h5-18,26,30,33H,4,19-24H2,1-3H3,(H,37,41);5-10,12,14,19-20,23,25,29H,11,13,15-18H2,1-4H3;4-9,11,16,18-19,21,23,27H,10,12-15,17H2,1-3H3;4-12,19-20,24,27H,13-18H2,1-3H3,(H,30,34)/t26-,30+,33+;23-,25+,29+;21-,23+,27+;20?,24-,27-/m1110/s1.

What are the key properties of 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide?

1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide has a molecular weight of 2081.12 g/mol, XLogP of 23.35, 42 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,2R,4R)-2-(2-chloro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]benzamide;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]propan-2-one;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 159136727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).