4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

C96H109F2N21O7 — CID 160896947

About 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (PubChem CID 160896947) has the molecular formula C96H109F2N21O7 and a molecular weight of 1707.06 g/mol. Its IUPAC name is 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
• PubChem CID: 160896947
• Molecular Formula: C96H109F2N21O7
• Molecular Weight: 1707.06 g/mol
• Exact Mass: 1705.88
• IUPAC Name: 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
• SMILES: CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CC(C)(C)O)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CC(C)(F)F)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CCCO)c2cn1.CCCC(C)n1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21.CN1CCC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)CC1
• InChI: InChI=1S/C21H25N5O.C20H24N4O.C19H22N4O2.C18H18F2N4O.C18H20N4O2/c1-21(2,27)7-4-16-10-18-19(15-11-23-24-12-15)14-26(20(18)13-22-16)17-5-8-25(3)9-6-17;1-5-6-14(2)24-13-18(15-10-22-23-11-15)17-9-16(21-12-19(17)24)7-8-20(3,4)25;1-18(2,24)6-5-14-7-15-16(13-8-21-22-9-13)11-23(12-19(3,4)25)17(15)10-20-14;1-17(2,25)5-4-13-6-14-15(12-7-22-23-8-12)10-24(11-18(3,19)20)16(14)9-21-13;1-18(2,24)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-3-7-23)17(15)11-19-14/h10-14,17,27H,5-6,8-9H2,1-3H3,(H,23,24);9-14,25H,5-6H2,1-4H3,(H,22,23);7-11,24-25H,12H2,1-4H3,(H,21,22);6-10,25H,11H2,1-3H3,(H,22,23);8-12,23-24H,3,6-7H2,1-2H3,(H,20,21)
• InChIKey: SOZRJDREBBNNRJ-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 377.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1707.06
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The IUPAC name of 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (CID 160896947) is 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

What is the SMILES notation for 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The canonical SMILES for 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CC(C)(C)O)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CC(C)(F)F)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(CCCO)c2cn1.CCCC(C)n1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21.CN1CCC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)CC1.

What is the InChIKey of 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The InChIKey is SOZRJDREBBNNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C20H24N4O.C19H22N4O2.C18H18F2N4O.C18H20N4O2/c1-21(2,27)7-4-16-10-18-19(15-11-23-24-12-15)14-26(20(18)13-22-16)17-5-8-25(3)9-6-17;1-5-6-14(2)24-13-18(15-10-22-23-11-15)17-9-16(21-12-19(17)24)7-8-20(3,4)25;1-18(2,24)6-5-14-7-15-16(13-8-21-22-9-13)11-23(12-19(3,4)25)17(15)10-20-14;1-17(2,25)5-4-13-6-14-15(12-7-22-23-8-12)10-24(11-18(3,19)20)16(14)9-21-13;1-18(2,24)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-3-7-23)17(15)11-19-14/h10-14,17,27H,5-6,8-9H2,1-3H3,(H,23,24);9-14,25H,5-6H2,1-4H3,(H,22,23);7-11,24-25H,12H2,1-4H3,(H,21,22);6-10,25H,11H2,1-3H3,(H,22,23);8-12,23-24H,3,6-7H2,1-2H3,(H,20,21).

What are the key properties of 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol has a molecular weight of 1707.06 g/mol, XLogP of 14.18, 16 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2,2-difluoropropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(2-hydroxy-2-methylpropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-hydroxypropyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-methyl-4-[1-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol;2-methyl-4-[1-pentan-2-yl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is sourced from PubChem (CID 160896947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).