4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol

C83H96ClN19O4 — CID 162023259

About 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol

4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol (PubChem CID 162023259) has the molecular formula C83H96ClN19O4 and a molecular weight of 1475.36 g/mol. Its IUPAC name is 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol
• PubChem CID: 162023259
• Molecular Formula: C83H96ClN19O4
• Molecular Weight: 1475.36 g/mol
• Exact Mass: 1473.86
• IUPAC Name: 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol
• SMILES: CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)O)ncc21.[2H]C([2H])([2H])C(O)(C#Cc1cc2c(-c3cn[nH]c3Cl)cn(C3CCN(C)CC3)c2c(C)n1)C([2H])([2H])[2H].[2H]c1n[nH]c([2H])c1-c1cn(C2CCN(C)CC2)c2c(C)nc(C#CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])cc12.[2H]c1n[nH]c([2H])c1-c1cn(C2CCN(C3CC3)CC2)c2cnc(C#CC(C)(C)O)cc12
• InChI: InChI=1S/C23H27N5O.C22H26ClN5O.C22H27N5O.C16H16N4O/c1-23(2,29)8-5-17-11-20-21(16-12-25-26-13-16)15-28(22(20)14-24-17)19-6-9-27(10-7-19)18-3-4-18;1-14-20-17(11-15(25-14)5-8-22(2,3)29)19(18-12-24-26-21(18)23)13-28(20)16-6-9-27(4)10-7-16;1-15-21-19(11-17(25-15)5-8-22(2,3)28)20(16-12-23-24-13-16)14-27(21)18-6-9-26(4)10-7-18;1-3-20-10-15(12-7-18-19-8-12)14-6-13(5-4-11(2)21)17-9-16(14)20/h11-15,18-19,29H,3-4,6-7,9-10H2,1-2H3,(H,25,26);11-13,16,29H,6-7,9-10H2,1-4H3,(H,24,26);11-14,18,28H,6-7,9-10H2,1-4H3,(H,23,24);6-11,21H,3H2,1-2H3,(H,18,19)/i12D,13D;2D3,3D3;2D3,3D3,12D,13D
• InChIKey: YVAHWMWSQPNWMC-RIVPXHJJSA-N
• XLogP: 12.43
• TPSA: 276.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.36
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol?

The IUPAC name of 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol (CID 162023259) is 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol.

What is the SMILES notation for 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol?

The canonical SMILES for 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol is CCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)O)ncc21.[2H]C([2H])([2H])C(O)(C#Cc1cc2c(-c3cn[nH]c3Cl)cn(C3CCN(C)CC3)c2c(C)n1)C([2H])([2H])[2H].[2H]c1n[nH]c([2H])c1-c1cn(C2CCN(C)CC2)c2c(C)nc(C#CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])cc12.[2H]c1n[nH]c([2H])c1-c1cn(C2CCN(C3CC3)CC2)c2cnc(C#CC(C)(C)O)cc12.

What is the InChIKey of 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol?

The InChIKey is YVAHWMWSQPNWMC-RIVPXHJJSA-N. The full InChI is InChI=1S/C23H27N5O.C22H26ClN5O.C22H27N5O.C16H16N4O/c1-23(2,29)8-5-17-11-20-21(16-12-25-26-13-16)15-28(22(20)14-24-17)19-6-9-27(10-7-19)18-3-4-18;1-14-20-17(11-15(25-14)5-8-22(2,3)29)19(18-12-24-26-21(18)23)13-28(20)16-6-9-27(4)10-7-16;1-15-21-19(11-17(25-15)5-8-22(2,3)28)20(16-12-23-24-13-16)14-27(21)18-6-9-26(4)10-7-18;1-3-20-10-15(12-7-18-19-8-12)14-6-13(5-4-11(2)21)17-9-16(14)20/h11-15,18-19,29H,3-4,6-7,9-10H2,1-2H3,(H,25,26);11-13,16,29H,6-7,9-10H2,1-4H3,(H,24,26);11-14,18,28H,6-7,9-10H2,1-4H3,(H,23,24);6-11,21H,3H2,1-2H3,(H,18,19)/i12D,13D;2D3,3D3;2D3,3D3,12D,13D;.

What are the key properties of 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol?

4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol has a molecular weight of 1475.36 g/mol, XLogP of 12.43, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-chloro-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trideuterio-2-(trideuteriomethyl)but-3-yn-2-ol;4-[1-(1-cyclopropylpiperidin-4-yl)-3-(3,5-dideuterio-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;1,1,1-trideuterio-4-[3-(3,5-dideuterio-1H-pyrazol-4-yl)-7-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-(trideuteriomethyl)but-3-yn-2-ol is sourced from PubChem (CID 162023259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).