N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine

C86H102F5N23O5 — CID 162197685

About N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine

N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine (PubChem CID 162197685) has the molecular formula C86H102F5N23O5 and a molecular weight of 1632.91 g/mol. Its IUPAC name is N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine.

Molecular Properties

• Compound Name: N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine
• PubChem CID: 162197685
• Molecular Formula: C86H102F5N23O5
• Molecular Weight: 1632.91 g/mol
• Exact Mass: 1631.84
• IUPAC Name: N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine
• SMILES: COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NCNc2c(C)c(-c3cnc(C4(F)COC4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NCNc2c(C)c(-c3cc4n(n3)CCC4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NCNc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C1
• InChI: InChI=1S/C29H33F3N8O2.C29H34FN7O2.C28H35FN8O/c1-19-26(20-10-33-28(34-11-20)29(32)16-42-17-29)37-40(21-6-4-3-5-7-21)27(19)36-18-35-24-14-38(8-9-41-2)15-25(24)39-12-22(30)23(31)13-39;1-20-28(21-12-22-17-39-18-26(22)31-13-21)34-37(24-6-4-3-5-7-24)29(20)33-19-32-25-15-35(10-11-38-2)16-27(25)36-9-8-23(30)14-36;1-20-27(24-15-23-9-6-11-36(23)32-24)33-37(22-7-4-3-5-8-22)28(20)31-19-30-25-17-34(13-14-38-2)18-26(25)35-12-10-21(29)16-35/h3-7,10-13,24-25,35-36H,8-9,14-18H2,1-2H3;3-9,12-14,25,27,32-33H,10-11,15-19H2,1-2H3;3-5,7-8,10,12,15-16,25-26,30-31H,6,9,11,13-14,17-19H2,1-2H3/t24-,25-;25-,27-;25-,26-/m111/s1
• InChIKey: ZRDYPMZFGKTLEV-KGRRTRDDSA-N
• XLogP: 10.65
• TPSA: 252.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.91
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine?

The IUPAC name of N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine (CID 162197685) is N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine.

What is the SMILES notation for N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine?

The canonical SMILES for N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine is COCCN1C[C@@H](n2cc(F)c(F)c2)[C@H](NCNc2c(C)c(-c3cnc(C4(F)COC4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NCNc2c(C)c(-c3cc4n(n3)CCC4)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NCNc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C1.

What is the InChIKey of N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine?

The InChIKey is ZRDYPMZFGKTLEV-KGRRTRDDSA-N. The full InChI is InChI=1S/C29H33F3N8O2.C29H34FN7O2.C28H35FN8O/c1-19-26(20-10-33-28(34-11-20)29(32)16-42-17-29)37-40(21-6-4-3-5-7-21)27(19)36-18-35-24-14-38(8-9-41-2)15-25(24)39-12-22(30)23(31)13-39;1-20-28(21-12-22-17-39-18-26(22)31-13-21)34-37(24-6-4-3-5-7-24)29(20)33-19-32-25-15-35(10-11-38-2)16-27(25)36-9-8-23(30)14-36;1-20-27(24-15-23-9-6-11-36(23)32-24)33-37(22-7-4-3-5-8-22)28(20)31-19-30-25-17-34(13-14-38-2)18-26(25)35-12-10-21(29)16-35/h3-7,10-13,24-25,35-36H,8-9,14-18H2,1-2H3;3-9,12-14,25,27,32-33H,10-11,15-19H2,1-2H3;3-5,7-8,10,12,15-16,25-26,30-31H,6,9,11,13-14,17-19H2,1-2H3/t24-,25-;25-,27-;25-,26-/m111/s1.

What are the key properties of N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine?

N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine has a molecular weight of 1632.91 g/mol, XLogP of 10.65, 31 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-4-(3,4-difluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N'-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]methanediamine;N'-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine;N'-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-4-methyl-1-phenylpyrazol-5-yl]-N-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanediamine is sourced from PubChem (CID 162197685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).