2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

C125H146FN21O10 — CID 158014018

About 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 158014018) has the molecular formula C125H146FN21O10 and a molecular weight of 2121.68 g/mol. Its IUPAC name is 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• PubChem CID: 158014018
• Molecular Formula: C125H146FN21O10
• Molecular Weight: 2121.68 g/mol
• Exact Mass: 2120.15
• IUPAC Name: 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
• SMILES: COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(-c3cnc(CO)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1.COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(C3=CCN(C(C)=O)CC3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)C1
• InChI: InChI=1S/C33H40N4O3.C31H35FN6O2.C31H35N5O3.C30H36N6O2/c1-23-31(22-32(39)34-30-21-25(16-19-40-3)20-29(30)26-10-6-4-7-11-26)37(28-12-8-5-9-13-28)35-33(23)27-14-17-36(18-15-27)24(2)38;1-19-14-23(10-11-27(19)32)26-15-22(12-13-40-4)16-28(26)35-31(39)36-30-20(2)29(24-17-33-21(3)34-18-24)37-38(30)25-8-6-5-7-9-25;1-21-28(36(25-11-7-4-8-12-25)35-31(21)24-18-32-29(20-37)33-19-24)17-30(38)34-27-16-22(13-14-39-2)15-26(27)23-9-5-3-6-10-23;1-20-14-23(10-12-31-20)26-15-22(11-13-38-4)16-27(26)33-29(37)17-28-21(2)30(24-18-32-35(3)19-24)34-36(28)25-8-6-5-7-9-25/h4-14,25,29-30H,15-22H2,1-3H3,(H,34,39);5-11,14,17-18,22,26,28H,12-13,15-16H2,1-4H3,(H2,35,36,39);3-12,18-19,22,26-27,37H,13-17,20H2,1-2H3,(H,34,38);5-10,12,14,18-19,22,26-27H,11,13,15-17H2,1-4H3,(H,33,37)/t25-,29-,30+;22-,26-,28+;2*22-,26-,27+/m0000/s1
• InChIKey: FFFXEVIVCLVSRE-PQBJBUTMSA-N
• XLogP: 20.12
• TPSA: 359.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.68
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The IUPAC name of 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (CID 158014018) is 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(-c3cnc(CO)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(C)c2)C1.COCC[C@@H]1C[C@@H](NC(=O)Cc2c(C)c(C3=CCN(C(C)=O)CC3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc(C)nc3)nn2-c2ccccc2)[C@H](c2ccc(F)c(C)c2)C1.

What is the InChIKey of 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

The InChIKey is FFFXEVIVCLVSRE-PQBJBUTMSA-N. The full InChI is InChI=1S/C33H40N4O3.C31H35FN6O2.C31H35N5O3.C30H36N6O2/c1-23-31(22-32(39)34-30-21-25(16-19-40-3)20-29(30)26-10-6-4-7-11-26)37(28-12-8-5-9-13-28)35-33(23)27-14-17-36(18-15-27)24(2)38;1-19-14-23(10-11-27(19)32)26-15-22(12-13-40-4)16-28(26)35-31(39)36-30-20(2)29(24-17-33-21(3)34-18-24)37-38(30)25-8-6-5-7-9-25;1-21-28(36(25-11-7-4-8-12-25)35-31(21)24-18-32-29(20-37)33-19-24)17-30(38)34-27-16-22(13-14-39-2)15-26(27)23-9-5-3-6-10-23;1-20-14-23(10-12-31-20)26-15-22(11-13-38-4)16-27(26)33-29(37)17-28-21(2)30(24-18-32-35(3)19-24)34-36(28)25-8-6-5-7-9-25/h4-14,25,29-30H,15-22H2,1-3H3,(H,34,39);5-11,14,17-18,22,26,28H,12-13,15-16H2,1-4H3,(H2,35,36,39);3-12,18-19,22,26-27,37H,13-17,20H2,1-2H3,(H,34,38);5-10,12,14,18-19,22,26-27H,11,13,15-17H2,1-4H3,(H,33,37)/t25-,29-,30+;22-,26-,28+;2*22-,26-,27+/m0000/s1.

What are the key properties of 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?

2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 2121.68 g/mol, XLogP of 20.12, 36 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;1-[(1R,2S,4S)-2-(4-fluoro-3-methylphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea;2-[3-[2-(hydroxymethyl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]acetamide;N-[(1R,2S,4S)-4-(2-methoxyethyl)-2-(2-methyl-4-pyridinyl)cyclopentyl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 158014018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).