4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

C97H104N22O7 — CID 159480805

About 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (PubChem CID 159480805) has the molecular formula C97H104N22O7 and a molecular weight of 1690.05 g/mol. Its IUPAC name is 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 159480805
• Molecular Formula: C97H104N22O7
• Molecular Weight: 1690.05 g/mol
• Exact Mass: 1688.85
• IUPAC Name: 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
• SMILES: CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCC(CO)CC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3C#N)cn(CC(C)(C)O)c2cn1.CCn1cc(-c2cn[nH]c2C#N)c2cc(C#CC(C)(C)O)ncc21.CCn1cc(-c2cn[nH]c2C)c2cc(C#CC(C)(C)O)ncc21
• InChI: InChI=1S/C22H26N4O2.C20H21N5O2.C19H20N4O.C18H17N5O.C18H20N4O/c1-22(2,28)8-7-17-9-19-20(16-10-24-25-11-16)13-26(21(19)12-23-17)18-5-3-15(14-27)4-6-18;1-19(2,26)6-5-13-7-14-16(15-9-23-24-17(15)8-21)11-25(12-20(3,4)27)18(14)10-22-13;1-19(2,24)7-6-14-8-16-17(13-9-21-22-10-13)12-23(15-4-3-5-15)18(16)11-20-14;1-4-23-11-15(14-9-21-22-16(14)8-19)13-7-12(20-10-17(13)23)5-6-18(2,3)24;1-5-22-11-16(15-9-20-21-12(15)2)14-8-13(19-10-17(14)22)6-7-18(3,4)23/h9-13,15,18,27-28H,3-6,14H2,1-2H3,(H,24,25);7,9-11,26-27H,12H2,1-4H3,(H,23,24);8-12,15,24H,3-5H2,1-2H3,(H,21,22);7,9-11,24H,4H2,1-3H3,(H,21,22);8-11,23H,5H2,1-4H3,(H,20,21)
• InChIKey: LWZCHULKWAIQLS-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 421.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.05
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (CID 159480805) is 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCC(CO)CC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3)cn(C3CCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3cn[nH]c3C#N)cn(CC(C)(C)O)c2cn1.CCn1cc(-c2cn[nH]c2C#N)c2cc(C#CC(C)(C)O)ncc21.CCn1cc(-c2cn[nH]c2C)c2cc(C#CC(C)(C)O)ncc21.

What is the InChIKey of 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is LWZCHULKWAIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.C20H21N5O2.C19H20N4O.C18H17N5O.C18H20N4O/c1-22(2,28)8-7-17-9-19-20(16-10-24-25-11-16)13-26(21(19)12-23-17)18-5-3-15(14-27)4-6-18;1-19(2,26)6-5-13-7-14-16(15-9-23-24-17(15)8-21)11-25(12-20(3,4)27)18(14)10-22-13;1-19(2,24)7-6-14-8-16-17(13-9-21-22-10-13)12-23(15-4-3-5-15)18(16)11-20-14;1-4-23-11-15(14-9-21-22-16(14)8-19)13-7-12(20-10-17(13)23)5-6-18(2,3)24;1-5-22-11-16(15-9-20-21-12(15)2)14-8-13(19-10-17(14)22)6-7-18(3,4)23/h9-13,15,18,27-28H,3-6,14H2,1-2H3,(H,24,25);7,9-11,26-27H,12H2,1-4H3,(H,23,24);8-12,15,24H,3-5H2,1-2H3,(H,21,22);7,9-11,24H,4H2,1-3H3,(H,21,22);8-11,23H,5H2,1-4H3,(H,20,21).

What are the key properties of 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?

4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 1690.05 g/mol, XLogP of 14.06, 12 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-cyclobutyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-ethyl-5-(3-hydroxy-3-methylbut-1-ynyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-ethyl-3-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-3-yl]-1H-pyrazole-5-carbonitrile;4-[1-[4-(hydroxymethyl)cyclohexyl]-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 159480805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).