5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine

C101H122N26O2 — CID 162011977

About 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine

5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162011977) has the molecular formula C101H122N26O2 and a molecular weight of 1732.27 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162011977
• Molecular Formula: C101H122N26O2
• Molecular Weight: 1732.27 g/mol
• Exact Mass: 1731.02
• IUPAC Name: 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)Cc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3cnn(CCN4CCOCC4)c3)c2c1.CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4=CCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CN4CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CCCCC4)cc23)cn1
• InChI: InChI=1S/C20H27N5O.C18H22N4O.C17H21N5.C17H18N4.C15H18N4.C14H16N4/c1-15(2)9-16-10-18-19(13-22-20(18)21-11-16)17-12-23-25(14-17)4-3-24-5-7-26-8-6-24;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-21-12-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)11-22-5-3-2-4-6-22;1-21-11-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)6-12-4-2-3-5-12;1-10(2)4-11-5-13-14(8-17-15(13)16-6-11)12-7-18-19(3)9-12;1-3-4-10-5-12-13(8-16-14(12)15-6-10)11-7-17-18(2)9-11/h10-15H,3-9H2,1-2H3,(H,21,22);7-11,13H,2-6,12H2,1H3,(H,19,20);7-10,12H,2-6,11H2,1H3,(H,18,19);4,7-11H,2-3,5-6H2,1H3,(H,18,19);5-10H,4H2,1-3H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16)
• InChIKey: YTPGHQPJBTUXOV-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 303.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1732.27
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine (CID 162011977) is 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine is CC(C)Cc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CC(C)Cc1cnc2[nH]cc(-c3cnn(CCN4CCOCC4)c3)c2c1.CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(CC4=CCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CN4CCCCC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CCCCC4)cc23)cn1.

What is the InChIKey of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is YTPGHQPJBTUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O.C18H22N4O.C17H21N5.C17H18N4.C15H18N4.C14H16N4/c1-15(2)9-16-10-18-19(13-22-20(18)21-11-16)17-12-23-25(14-17)4-3-24-5-7-26-8-6-24;1-22-11-14(8-21-22)17-10-20-18-16(17)7-15(9-19-18)23-12-13-5-3-2-4-6-13;1-21-12-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)11-22-5-3-2-4-6-22;1-21-11-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)6-12-4-2-3-5-12;1-10(2)4-11-5-13-14(8-17-15(13)16-6-11)12-7-18-19(3)9-12;1-3-4-10-5-12-13(8-16-14(12)15-6-10)11-7-17-18(2)9-11/h10-15H,3-9H2,1-2H3,(H,21,22);7-11,13H,2-6,12H2,1H3,(H,19,20);7-10,12H,2-6,11H2,1H3,(H,18,19);4,7-11H,2-3,5-6H2,1H3,(H,18,19);5-10H,4H2,1-3H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16).

What are the key properties of 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine?

5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1732.27 g/mol, XLogP of 19.52, 22 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclohexylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclopenten-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[2-[4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162011977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).