cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C73H88FN17O11S2 — CID 159053697

About cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 159053697) has the molecular formula C73H88FN17O11S2 and a molecular weight of 1462.75 g/mol. Its IUPAC name is cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• PubChem CID: 159053697
• Molecular Formula: C73H88FN17O11S2
• Molecular Weight: 1462.75 g/mol
• Exact Mass: 1461.63
• IUPAC Name: cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• SMILES: CCC1(n2cc(-c3c(C(=O)OCC4CC4)cnc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(C2(CC)CN(S(=O)(=O)CC)C2)c1.CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(C2(CC)CN(C3CCN(C(=O)c4ccnc(C)c4F)CC3)C2)c1
• InChI: InChI=1S/C30H34FN7O3.C22H27N5O4S.C21H27N5O4S/c1-4-30(17-37(18-30)21-8-12-36(13-9-21)28(39)23-7-10-32-19(3)26(23)31)38-16-20(14-35-38)25-22-6-11-33-27(22)34-15-24(25)29(40)41-5-2;1-3-22(13-26(14-22)32(29,30)4-2)27-11-16(9-25-27)19-17-7-8-23-20(17)24-10-18(19)21(28)31-12-15-5-6-15;1-4-9-30-20(27)17-11-23-19-16(7-8-22-19)18(17)15-10-24-26(12-15)21(5-2)13-25(14-21)31(28,29)6-3/h6-7,10-11,14-16,21H,4-5,8-9,12-13,17-18H2,1-3H3,(H,33,34);7-11,15H,3-6,12-14H2,1-2H3,(H,23,24);7-8,10-12H,4-6,9,13-14H2,1-3H3,(H,22,23)
• InChIKey: JXPCGUUELOSFMM-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 329.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1462.75
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?

The IUPAC name of cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 159053697) is cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

What is the SMILES notation for cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?

The canonical SMILES for cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCC1(n2cc(-c3c(C(=O)OCC4CC4)cnc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(C2(CC)CN(S(=O)(=O)CC)C2)c1.CCOC(=O)c1cnc2[nH]ccc2c1-c1cnn(C2(CC)CN(C3CCN(C(=O)c4ccnc(C)c4F)CC3)C2)c1.

What is the InChIKey of cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?

The InChIKey is JXPCGUUELOSFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O3.C22H27N5O4S.C21H27N5O4S/c1-4-30(17-37(18-30)21-8-12-36(13-9-21)28(39)23-7-10-32-19(3)26(23)31)38-16-20(14-35-38)25-22-6-11-33-27(22)34-15-24(25)29(40)41-5-2;1-3-22(13-26(14-22)32(29,30)4-2)27-11-16(9-25-27)19-17-7-8-23-20(17)24-10-18(19)21(28)31-12-15-5-6-15;1-4-9-30-20(27)17-11-23-19-16(7-8-22-19)18(17)15-10-24-26(12-15)21(5-2)13-25(14-21)31(28,29)6-3/h6-7,10-11,14-16,21H,4-5,8-9,12-13,17-18H2,1-3H3,(H,33,34);7-11,15H,3-6,12-14H2,1-2H3,(H,23,24);7-8,10-12H,4-6,9,13-14H2,1-3H3,(H,22,23).

What are the key properties of cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?

cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 1462.75 g/mol, XLogP of 9.70, 23 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[1-[3-ethyl-1-[1-(3-fluoro-2-methylpyridine-4-carbonyl)piperidin-4-yl]azetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propyl 4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 159053697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).