5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol

C128H142FN33O2S2 — CID 158728570

About 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol (PubChem CID 158728570) has the molecular formula C128H142FN33O2S2 and a molecular weight of 2257.90 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol.

Molecular Properties

• Compound Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol
• PubChem CID: 158728570
• Molecular Formula: C128H142FN33O2S2
• Molecular Weight: 2257.90 g/mol
• Exact Mass: 2256.14
• IUPAC Name: 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol
• SMILES: CC(C)Cc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1cccc(Sc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cn1cc(-c2c[nH]c3ncc(CCC(C)(C)C)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Sc4ccc(F)cc4)cc23)cn1
• InChI: InChI=1S/C19H19N5S.C17H13FN4S.C17H22N4.C16H20N4.C15H16N4O.C15H18N4O.C15H18N4.C14H16N4/c1-23(2)14-5-4-6-15(7-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-22-10-11(7-21-22)16-9-20-17-15(16)6-14(8-19-17)23-13-4-2-12(18)3-5-13;1-17(2,3)6-5-12-7-14-15(10-19-16(14)18-8-12)13-9-20-21(4)11-13;1-3-4-5-6-12-7-14-15(10-18-16(14)17-8-12)13-9-19-20(2)11-13;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20;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/h4-12H,1-3H3,(H,20,21);2-10H,1H3,(H,19,20);7-11H,5-6H2,1-4H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17);5-10H,4H2,1-3H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16)
• InChIKey: IKUVASYYAPIRLM-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 404.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.90
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol?

The IUPAC name of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol (CID 158728570) is 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol.

What is the SMILES notation for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol?

The canonical SMILES for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol is CC(C)Cc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CN(C)c1cccc(Sc2cnc3[nH]cc(-c4cnn(C)c4)c3c2)c1.Cn1cc(-c2c[nH]c3ncc(CCC(C)(C)C)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(CCCCO)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(OCC4CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Sc4ccc(F)cc4)cc23)cn1.

What is the InChIKey of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol?

The InChIKey is IKUVASYYAPIRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S.C17H13FN4S.C17H22N4.C16H20N4.C15H16N4O.C15H18N4O.C15H18N4.C14H16N4/c1-23(2)14-5-4-6-15(7-14)25-16-8-17-18(11-21-19(17)20-10-16)13-9-22-24(3)12-13;1-22-10-11(7-21-22)16-9-20-17-15(16)6-14(8-19-17)23-13-4-2-12(18)3-5-13;1-17(2,3)6-5-12-7-14-15(10-19-16(14)18-8-12)13-9-20-21(4)11-13;1-3-4-5-6-12-7-14-15(10-18-16(14)17-8-12)13-9-19-20(2)11-13;1-19-8-11(5-18-19)14-7-17-15-13(14)4-12(6-16-15)20-9-10-2-3-10;1-19-10-12(8-18-19)14-9-17-15-13(14)6-11(7-16-15)4-2-3-5-20;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/h4-12H,1-3H3,(H,20,21);2-10H,1H3,(H,19,20);7-11H,5-6H2,1-4H3,(H,18,19);7-11H,3-6H2,1-2H3,(H,17,18);4-8,10H,2-3,9H2,1H3,(H,16,17);6-10,20H,2-5H2,1H3,(H,16,17);5-10H,4H2,1-3H3,(H,16,17);5-9H,3-4H2,1-2H3,(H,15,16).

What are the key properties of 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol?

5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol has a molecular weight of 2257.90 g/mol, XLogP of 27.18, 30 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-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;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol is sourced from PubChem (CID 158728570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).