4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

C77H87N17O7 — CID 161099894

About 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol

4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (PubChem CID 161099894) has the molecular formula C77H87N17O7 and a molecular weight of 1362.65 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol
• PubChem CID: 161099894
• Molecular Formula: C77H87N17O7
• Molecular Weight: 1362.65 g/mol
• Exact Mass: 1361.70
• IUPAC Name: 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-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(CC3COC3)c2cn1.CN1CCC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)CC1.COCCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21.COCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21
• InChI: InChI=1S/C21H25N5O.C19H20N4O2.C19H22N4O2.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;1-19(2,24)4-3-15-5-16-17(14-6-21-22-7-14)10-23(18(16)8-20-15)9-13-11-25-12-13;1-19(2,24)6-5-15-9-16-17(14-10-21-22-11-14)13-23(7-4-8-25-3)18(16)12-20-15;1-18(2,23)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-7-24-3)17(15)11-19-14/h10-14,17,27H,5-6,8-9H2,1-3H3,(H,23,24);5-8,10,13,24H,9,11-12H2,1-2H3,(H,21,22);9-13,24H,4,7-8H2,1-3H3,(H,21,22);8-12,23H,6-7H2,1-3H3,(H,20,21)
• InChIKey: UIGYXLFPVIAJOV-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 297.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1362.65
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The IUPAC name of 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol (CID 161099894) is 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-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-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The canonical SMILES for 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-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(CC3COC3)c2cn1.CN1CCC(n2cc(-c3cn[nH]c3)c3cc(C#CC(C)(C)O)ncc32)CC1.COCCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21.COCCn1cc(-c2cn[nH]c2)c2cc(C#CC(C)(C)O)ncc21.

What is the InChIKey of 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

The InChIKey is UIGYXLFPVIAJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.C19H20N4O2.C19H22N4O2.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;1-19(2,24)4-3-15-5-16-17(14-6-21-22-7-14)10-23(18(16)8-20-15)9-13-11-25-12-13;1-19(2,24)6-5-15-9-16-17(14-10-21-22-11-14)13-23(7-4-8-25-3)18(16)12-20-15;1-18(2,23)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-7-24-3)17(15)11-19-14/h10-14,17,27H,5-6,8-9H2,1-3H3,(H,23,24);5-8,10,13,24H,9,11-12H2,1-2H3,(H,21,22);9-13,24H,4,7-8H2,1-3H3,(H,21,22);8-12,23H,6-7H2,1-3H3,(H,20,21).

What are the key properties of 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol?

4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol has a molecular weight of 1362.65 g/mol, XLogP of 9.79, 14 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[1-(3-methoxypropyl)-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-(oxetan-3-ylmethyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-5-yl]but-3-yn-2-ol is sourced from PubChem (CID 161099894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).