1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea

C90H101F6N23O8 — CID 159339726

About 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea

1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 159339726) has the molecular formula C90H101F6N23O8 and a molecular weight of 1746.94 g/mol. Its IUPAC name is 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 159339726
• Molecular Formula: C90H101F6N23O8
• Molecular Weight: 1746.94 g/mol
• Exact Mass: 1745.81
• IUPAC Name: 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)CN(C)C4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)CN(CCO)C4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C1
• InChI: InChI=1S/C31H36F2N8O3.C30H34F2N8O2.C29H31F2N7O3/c1-20-29(21-12-22-14-38(8-10-42)17-26(22)34-13-21)37-41(23-6-4-3-5-7-23)30(20)36-31(43)35-27-18-39(9-11-44-2)19-28(27)40-15-24(32)25(33)16-40;1-19-28(20-11-21-13-37(2)16-25(21)33-12-20)36-40(22-7-5-4-6-8-22)29(19)35-30(41)34-26-17-38(9-10-42-3)18-27(26)39-14-23(31)24(32)15-39;1-18-27(19-10-20-16-41-17-25(20)32-11-19)35-38(21-6-4-3-5-7-21)28(18)34-29(39)33-24-14-36(8-9-40-2)15-26(24)37-12-22(30)23(31)13-37/h3-7,12-13,15-16,27-28,42H,8-11,14,17-19H2,1-2H3,(H2,35,36,43);4-8,11-12,14-15,26-27H,9-10,13,16-18H2,1-3H3,(H2,34,35,41);3-7,10-13,24,26H,8-9,14-17H2,1-2H3,(H2,33,34,39)/t27-,28-;26-,27-;24-,26-/m111/s1
• InChIKey: LFZIDWUSGZYSQG-IFZPAEIZSA-N
• XLogP: 11.33
• TPSA: 303.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.94
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea?

The IUPAC name of 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea (CID 159339726) is 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea?

The canonical SMILES for 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea is COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)CN(C)C4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)CN(CCO)C4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C1.

What is the InChIKey of 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is LFZIDWUSGZYSQG-IFZPAEIZSA-N. The full InChI is InChI=1S/C31H36F2N8O3.C30H34F2N8O2.C29H31F2N7O3/c1-20-29(21-12-22-14-38(8-10-42)17-26(22)34-13-21)37-41(23-6-4-3-5-7-23)30(20)36-31(43)35-27-18-39(9-11-44-2)19-28(27)40-15-24(32)25(33)16-40;1-19-28(20-11-21-13-37(2)16-25(21)33-12-20)36-40(22-7-5-4-6-8-22)29(19)35-30(41)34-26-17-38(9-10-42-3)18-27(26)39-14-23(31)24(32)15-39;1-18-27(19-10-20-16-41-17-25(20)32-11-19)35-38(21-6-4-3-5-7-21)28(18)34-29(39)33-24-14-36(8-9-40-2)15-26(24)37-12-22(30)23(31)13-37/h3-7,12-13,15-16,27-28,42H,8-11,14,17-19H2,1-2H3,(H2,35,36,43);4-8,11-12,14-15,26-27H,9-10,13,16-18H2,1-3H3,(H2,34,35,41);3-7,10-13,24,26H,8-9,14-17H2,1-2H3,(H2,33,34,39)/t27-,28-;26-,27-;24-,26-/m111/s1.

What are the key properties of 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea?

1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 1746.94 g/mol, XLogP of 11.33, 26 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[6-(2-hydroxyethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl]-4-methyl-1-phenylpyrazol-5-yl]urea;1-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 159339726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).