1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one

C117H137FN16O8 — CID 161169064

About 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one

1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one (PubChem CID 161169064) has the molecular formula C117H137FN16O8 and a molecular weight of 1914.48 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one
• PubChem CID: 161169064
• Molecular Formula: C117H137FN16O8
• Molecular Weight: 1914.48 g/mol
• Exact Mass: 1913.08
• IUPAC Name: 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one
• SMILES: COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)N1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3ccc(C)nc3)nn2C)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3cnc(C)nc3)nn2C)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C32H36FN5O2.C32H36N4O2.C27H33N3O2.C26H32N4O2/c1-20-14-23(10-11-29(20)33)32-24(15-26(36-32)12-13-40-4)16-28(39)17-30-21(2)31(25-18-34-22(3)35-19-25)37-38(30)27-8-6-5-7-9-27;1-22-31(36(28-12-8-5-9-13-28)35-32(22)27-20-33-23(2)34-21-27)19-29(37)18-26-16-24(14-15-38-3)17-30(26)25-10-6-4-7-11-25;1-19-9-10-22(18-28-19)27-17-24(30(2)29-27)16-25(31)15-23-13-20(11-12-32-3)14-26(23)21-7-5-4-6-8-21;1-18-27-16-22(17-28-18)26-15-23(30(2)29-26)14-24(31)13-21-11-19(9-10-32-3)12-25(21)20-7-5-4-6-8-20/h5-11,14,18-19,24,26,32,36H,12-13,15-17H2,1-4H3;4-13,20-21,24,26,30H,14-19H2,1-3H3;4-10,17-18,20,23,26H,11-16H2,1-3H3;4-8,15-17,19,21,25H,9-14H2,1-3H3/t24-,26+,32-;24-,26+,30+;20-,23+,26+;19-,21+,25+/m0111/s1
• InChIKey: UQXZVNDMLCZNFT-DNTKEBQLSA-N
• XLogP: 21.62
• TPSA: 278.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.48
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The IUPAC name of 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one (CID 161169064) is 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one.

What is the SMILES notation for 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The canonical SMILES for 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one is COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)N1.COCC[C@@H]1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3ccc(C)nc3)nn2C)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](CC(=O)Cc2cc(-c3cnc(C)nc3)nn2C)[C@H](c2ccccc2)C1.

What is the InChIKey of 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

The InChIKey is UQXZVNDMLCZNFT-DNTKEBQLSA-N. The full InChI is InChI=1S/C32H36FN5O2.C32H36N4O2.C27H33N3O2.C26H32N4O2/c1-20-14-23(10-11-29(20)33)32-24(15-26(36-32)12-13-40-4)16-28(39)17-30-21(2)31(25-18-34-22(3)35-19-25)37-38(30)27-8-6-5-7-9-27;1-22-31(36(28-12-8-5-9-13-28)35-32(22)27-20-33-23(2)34-21-27)19-29(37)18-26-16-24(14-15-38-3)17-30(26)25-10-6-4-7-11-25;1-19-9-10-22(18-28-19)27-17-24(30(2)29-27)16-25(31)15-23-13-20(11-12-32-3)14-26(23)21-7-5-4-6-8-21;1-18-27-16-22(17-28-18)26-15-23(30(2)29-26)14-24(31)13-21-11-19(9-10-32-3)12-25(21)20-7-5-4-6-8-20/h5-11,14,18-19,24,26,32,36H,12-13,15-17H2,1-4H3;4-13,20-21,24,26,30H,14-19H2,1-3H3;4-10,17-18,20,23,26H,11-16H2,1-3H3;4-8,15-17,19,21,25H,9-14H2,1-3H3/t24-,26+,32-;24-,26+,30+;20-,23+,26+;19-,21+,25+/m0111/s1.

What are the key properties of 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one?

1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one has a molecular weight of 1914.48 g/mol, XLogP of 21.62, 38 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S,5S)-2-(4-fluoro-3-methylphenyl)-5-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-3-[1-methyl-3-(2-methylpyrimidin-5-yl)pyrazol-5-yl]propan-2-one is sourced from PubChem (CID 161169064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).