4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

C82H93F4N19O4 — CID 161457942

About 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (PubChem CID 161457942) has the molecular formula C82H93F4N19O4 and a molecular weight of 1484.77 g/mol. Its IUPAC name is 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
• PubChem CID: 161457942
• Molecular Formula: C82H93F4N19O4
• Molecular Weight: 1484.77 g/mol
• Exact Mass: 1483.76
• IUPAC Name: 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
• SMILES: CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCN(CC(F)(F)F)CC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCN(CCF)CC3)c2cn1.CCc1[nH]ncc1-c1cn(CC)c2cnc(C#CC(C)(C)O)cc12.CN1CC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)C1
• InChI: InChI=1S/C22H24F3N5O.C22H26FN5O.C19H21N5O.C19H22N4O/c1-21(2,31)6-3-16-9-18-19(15-10-27-28-11-15)13-30(20(18)12-26-16)17-4-7-29(8-5-17)14-22(23,24)25;1-22(2,29)6-3-17-11-19-20(16-12-25-26-13-16)15-28(21(19)14-24-17)18-4-8-27(9-5-18)10-7-23;1-19(2,25)5-4-14-6-16-17(13-7-21-22-8-13)12-24(18(16)9-20-14)15-10-23(3)11-15;1-5-17-15(10-21-22-17)16-12-23(6-2)18-11-20-13(9-14(16)18)7-8-19(3,4)24/h9-13,17,31H,4-5,7-8,14H2,1-2H3,(H,27,28);11-15,18,29H,4-5,7-10H2,1-2H3,(H,25,26);6-9,12,15,25H,10-11H2,1-3H3,(H,21,22);9-12,24H,5-6H2,1-4H3,(H,21,22)
• InChIKey: WBKGFSRMCYHXKG-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 276.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1484.77
LogP ≤ 5	12.07
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-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The IUPAC name of 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (CID 161457942) is 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

What is the SMILES notation for 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The canonical SMILES for 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCN(CC(F)(F)F)CC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCN(CCF)CC3)c2cn1.CCc1[nH]ncc1-c1cn(CC)c2cnc(C#CC(C)(C)O)cc12.CN1CC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)C1.

What is the InChIKey of 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The InChIKey is WBKGFSRMCYHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O.C22H26FN5O.C19H21N5O.C19H22N4O/c1-21(2,31)6-3-16-9-18-19(15-10-27-28-11-15)13-30(20(18)12-26-16)17-4-7-29(8-5-17)14-22(23,24)25;1-22(2,29)6-3-17-11-19-20(16-12-25-26-13-16)15-28(21(19)14-24-17)18-4-8-27(9-5-18)10-7-23;1-19(2,25)5-4-14-6-16-17(13-7-21-22-8-13)12-24(18(16)9-20-14)15-10-23(3)11-15;1-5-17-15(10-21-22-17)16-12-23(6-2)18-11-20-13(9-14(16)18)7-8-19(3,4)24/h9-13,17,31H,4-5,7-8,14H2,1-2H3,(H,27,28);11-15,18,29H,4-5,7-10H2,1-2H3,(H,25,26);6-9,12,15,25H,10-11H2,1-3H3,(H,21,22);9-12,24H,5-6H2,1-4H3,(H,21,22).

What are the key properties of 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol has a molecular weight of 1484.77 g/mol, XLogP of 12.07, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-ethyl-3-(5-ethyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-[1-(2-fluoroethyl)piperidin-4-yl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylazetidin-3-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[3-(1H-pyrazol-4-yl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is sourced from PubChem (CID 161457942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).