5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C117H127Cl3F12N24O6 — CID 158380842

About 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide

5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 158380842) has the molecular formula C117H127Cl3F12N24O6 and a molecular weight of 2299.80 g/mol. Its IUPAC name is 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide
• PubChem CID: 158380842
• Molecular Formula: C117H127Cl3F12N24O6
• Molecular Weight: 2299.80 g/mol
• Exact Mass: 2296.92
• IUPAC Name: 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide
• SMILES: CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(C(F)F)CC4)c(Cl)c(F)c3F)c21.CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(C(F)(F)F)CC4)c(Cl)c(F)c3F)c21.CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(CF)CC4)c(Cl)c(F)c3F)c21
• InChI: InChI=1S/C39H42ClF5N8O2.C39H41ClF4N8O2.C39H44ClF3N8O2/c1-20(2)52-19-47-26-15-24(21-13-27-32(46-18-21)36(3,4)35(55)53(27)22-16-37(5,17-22)51-11-7-6-8-12-51)48-33(31(26)52)49-25-14-23(28(40)30(42)29(25)41)34(54)50-38(9-10-38)39(43,44)45;1-18(2)51-17-46-26-11-24(47-33(31(26)51)48-25-10-23(28(40)30(42)29(25)41)34(53)49-39(6-7-39)35(43)44)19-9-27-32(45-14-19)37(3,4)36(54)52(27)22-12-38(5,13-22)50-15-20-8-21(20)16-50;1-21(2)50-20-45-27-15-25(46-34(32(27)50)47-26-14-24(29(40)31(43)30(26)42)35(52)48-39(19-41)9-10-39)22-13-28-33(44-18-22)37(3,4)36(53)51(28)23-16-38(5,17-23)49-11-7-6-8-12-49/h13-15,18-20,22H,6-12,16-17H2,1-5H3,(H,48,49)(H,50,54);9-11,14,17-18,20-22,35H,6-8,12-13,15-16H2,1-5H3,(H,47,48)(H,49,53);13-15,18,20-21,23H,6-12,16-17,19H2,1-5H3,(H,46,47)(H,48,52)
• InChIKey: GVTOMFRMPYOTJZ-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 324.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.80
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide?

The IUPAC name of 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 158380842) is 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

What is the SMILES notation for 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide?

The canonical SMILES for 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide is CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CC6CC6C5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(C(F)F)CC4)c(Cl)c(F)c3F)c21.CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(C(F)(F)F)CC4)c(Cl)c(F)c3F)c21.CC(C)n1cnc2cc(-c3cnc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NC4(CF)CC4)c(Cl)c(F)c3F)c21.

What is the InChIKey of 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide?

The InChIKey is GVTOMFRMPYOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42ClF5N8O2.C39H41ClF4N8O2.C39H44ClF3N8O2/c1-20(2)52-19-47-26-15-24(21-13-27-32(46-18-21)36(3,4)35(55)53(27)22-16-37(5,17-22)51-11-7-6-8-12-51)48-33(31(26)52)49-25-14-23(28(40)30(42)29(25)41)34(54)50-38(9-10-38)39(43,44)45;1-18(2)51-17-46-26-11-24(47-33(31(26)51)48-25-10-23(28(40)30(42)29(25)41)34(53)49-39(6-7-39)35(43)44)19-9-27-32(45-14-19)37(3,4)36(54)52(27)22-12-38(5,13-22)50-15-20-8-21(20)16-50;1-21(2)50-20-45-27-15-25(46-34(32(27)50)47-26-14-24(29(40)31(43)30(26)42)35(52)48-39(19-41)9-10-39)22-13-28-33(44-18-22)37(3,4)36(53)51(28)23-16-38(5,17-23)49-11-7-6-8-12-49/h13-15,18-20,22H,6-12,16-17H2,1-5H3,(H,48,49)(H,50,54);9-11,14,17-18,20-22,35H,6-8,12-13,15-16H2,1-5H3,(H,47,48)(H,49,53);13-15,18,20-21,23H,6-12,16-17,19H2,1-5H3,(H,46,47)(H,48,52).

What are the key properties of 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide?

5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 2299.80 g/mol, XLogP of 24.39, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[1-[3-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylcyclobutyl]-3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-chloro-N-[1-(difluoromethyl)cyclopropyl]-3,4-difluorobenzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(fluoromethyl)cyclopropyl]benzamide;2-chloro-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 158380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).