[4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

C124H123F16N21O4 — CID 160681684

About [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

[4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 160681684) has the molecular formula C124H123F16N21O4 and a molecular weight of 2275.46 g/mol. Its IUPAC name is [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

Molecular Properties

• Compound Name: [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
• PubChem CID: 160681684
• Molecular Formula: C124H123F16N21O4
• Molecular Weight: 2275.46 g/mol
• Exact Mass: 2273.98
• IUPAC Name: [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)C(C)(C)C2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)CC2.Cc1cccc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(C(C)C)cc1F)CC2.Cc1cccc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(C3CC3)cc1F)CC2
• InChI: InChI=1S/C34H36F5N5O.C32H31F5N4O.C29H27F3N6O.C29H29F3N6O/c1-6-20-9-8-10-21(7-2)30(20)44-31(24-14-27(36)28(15-26(24)35)41-32(40)45)25-18-43(33(4,5)16-29(25)42-44)17-22-11-12-23(13-19(22)3)34(37,38)39;1-4-20-7-6-8-21(5-2)30(20)41-31(24-14-27(34)29(38-18-42)15-26(24)33)25-17-40(12-11-28(25)39-41)16-22-9-10-23(13-19(22)3)32(35,36)37;1-15-4-3-5-16(2)26(15)38-27(19-11-22(31)25(12-21(19)30)35-29(33)39)20-14-37(9-8-24(20)36-38)28-23(32)10-18(13-34-28)17-6-7-17;1-15(2)18-10-23(32)28(34-13-18)37-9-8-24-20(14-37)27(38(36-24)26-16(3)6-5-7-17(26)4)19-11-22(31)25(12-21(19)30)35-29(33)39/h8-15H,6-7,16-18H2,1-5H3,(H3,40,41,45);6-10,13-15,18H,4-5,11-12,16-17H2,1-3H3,(H,38,42);3-5,10-13,17H,6-9,14H2,1-2H3,(H3,33,35,39);5-7,10-13,15H,8-9,14H2,1-4H3,(H3,33,35,39)
• InChIKey: ROFOSQLUMDPRGM-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 304.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.46
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?

The IUPAC name of [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 160681684) is [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

What is the SMILES notation for [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?

The canonical SMILES for [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)C(C)(C)C2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC=O)cc1F)CN(Cc1ccc(C(F)(F)F)cc1C)CC2.Cc1cccc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(C(C)C)cc1F)CC2.Cc1cccc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(C3CC3)cc1F)CC2.

What is the InChIKey of [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?

The InChIKey is ROFOSQLUMDPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F5N5O.C32H31F5N4O.C29H27F3N6O.C29H29F3N6O/c1-6-20-9-8-10-21(7-2)30(20)44-31(24-14-27(36)28(15-26(24)35)41-32(40)45)25-18-43(33(4,5)16-29(25)42-44)17-22-11-12-23(13-19(22)3)34(37,38)39;1-4-20-7-6-8-21(5-2)30(20)41-31(24-14-27(34)29(38-18-42)15-26(24)33)25-17-40(12-11-28(25)39-41)16-22-9-10-23(13-19(22)3)32(35,36)37;1-15-4-3-5-16(2)26(15)38-27(19-11-22(31)25(12-21(19)30)35-29(33)39)20-14-37(9-8-24(20)36-38)28-23(32)10-18(13-34-28)17-6-7-17;1-15(2)18-10-23(32)28(34-13-18)37-9-8-24-20(14-37)27(38(36-24)26-16(3)6-5-7-17(26)4)19-11-22(31)25(12-21(19)30)35-29(33)39/h8-15H,6-7,16-18H2,1-5H3,(H3,40,41,45);6-10,13-15,18H,4-5,11-12,16-17H2,1-3H3,(H,38,42);3-5,10-13,17H,6-9,14H2,1-2H3,(H3,33,35,39);5-7,10-13,15H,8-9,14H2,1-4H3,(H3,33,35,39).

What are the key properties of [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?

[4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 2275.46 g/mol, XLogP of 27.54, 25 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;N-[4-[2-(2,6-diethylphenyl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]formamide;[4-[2-(2,6-dimethylphenyl)-5-(3-fluoro-5-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 160681684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).