(2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

C116H132Cl4N22O4 — CID 157073675

About (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

(2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 157073675) has the molecular formula C116H132Cl4N22O4 and a molecular weight of 2040.29 g/mol. Its IUPAC name is (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

• Compound Name: (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
• PubChem CID: 157073675
• Molecular Formula: C116H132Cl4N22O4
• Molecular Weight: 2040.29 g/mol
• Exact Mass: 2036.96
• IUPAC Name: (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
• SMILES: CC(C)NC[C@@H](C(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2c(-c3cnn(C)c3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1.Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)[C@H](CC(C)(C)N)c4ccc(Cl)cc4)CC3)c12.Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)[C@H](CNC(C)C)c4ccc(Cl)cc4)CC3)c12
• InChI: InChI=1S/2C30H34ClN5O.C29H32ClN5O.C27H32ClN7O/c1-20-18-33-28-26(20)27(25(19-34-28)21-7-5-4-6-8-21)35-13-15-36(16-14-35)29(37)24(17-30(2,3)32)22-9-11-23(31)12-10-22;1-20(2)32-19-26(23-9-11-24(31)12-10-23)30(37)36-15-13-35(14-16-36)28-25(22-7-5-4-6-8-22)18-34-29-27(28)21(3)17-33-29;1-20(2)32-19-26(22-8-10-23(30)11-9-22)29(36)35-16-14-34(15-17-35)27-24-12-13-31-28(24)33-18-25(27)21-6-4-3-5-7-21;1-18(2)30-16-24(19-4-6-21(28)7-5-19)27(36)35-12-10-34(11-13-35)25-22-8-9-29-26(22)31-15-23(25)20-14-32-33(3)17-20/h4-12,18-19,24H,13-17,32H2,1-3H3,(H,33,34);4-12,17-18,20,26,32H,13-16,19H2,1-3H3,(H,33,34);3-13,18,20,26,32H,14-17,19H2,1-2H3,(H,31,33);4-9,14-15,17-18,24,30H,10-13,16H2,1-3H3,(H,29,31)/t24-;2*26-;24-/m1111/s1
• InChIKey: ACSKHKBRBDPIQU-RXJFFICVSA-N
• XLogP: 20.73
• TPSA: 288.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.29
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?

The IUPAC name of (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 157073675) is (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

What is the SMILES notation for (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?

The canonical SMILES for (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NC[C@@H](C(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1.CC(C)NC[C@@H](C(=O)N1CCN(c2c(-c3cnn(C)c3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1.Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)[C@H](CC(C)(C)N)c4ccc(Cl)cc4)CC3)c12.Cc1c[nH]c2ncc(-c3ccccc3)c(N3CCN(C(=O)[C@H](CNC(C)C)c4ccc(Cl)cc4)CC3)c12.

What is the InChIKey of (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?

The InChIKey is ACSKHKBRBDPIQU-RXJFFICVSA-N. The full InChI is InChI=1S/2C30H34ClN5O.C29H32ClN5O.C27H32ClN7O/c1-20-18-33-28-26(20)27(25(19-34-28)21-7-5-4-6-8-21)35-13-15-36(16-14-35)29(37)24(17-30(2,3)32)22-9-11-23(31)12-10-22;1-20(2)32-19-26(23-9-11-24(31)12-10-23)30(37)36-15-13-35(14-16-36)28-25(22-7-5-4-6-8-22)18-34-29-27(28)21(3)17-33-29;1-20(2)32-19-26(22-8-10-23(30)11-9-22)29(36)35-16-14-34(15-17-35)27-24-12-13-31-28(24)33-18-25(27)21-6-4-3-5-7-21;1-18(2)30-16-24(19-4-6-21(28)7-5-19)27(36)35-12-10-34(11-13-35)25-22-8-9-29-26(22)31-15-23(25)20-14-32-33(3)17-20/h4-12,18-19,24H,13-17,32H2,1-3H3,(H,33,34);4-12,17-18,20,26,32H,13-16,19H2,1-3H3,(H,33,34);3-13,18,20,26,32H,14-17,19H2,1-2H3,(H,31,33);4-9,14-15,17-18,24,30H,10-13,16H2,1-3H3,(H,29,31)/t24-;2*26-;24-/m1111/s1.

What are the key properties of (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?

(2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 2040.29 g/mol, XLogP of 20.73, 27 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-amino-2-(4-chlorophenyl)-4-methyl-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]pentan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(3-methyl-5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 157073675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).