3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

C58H57Cl4F5N12O4 — CID 162143119

About 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 162143119) has the molecular formula C58H57Cl4F5N12O4 and a molecular weight of 1222.98 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• PubChem CID: 162143119
• Molecular Formula: C58H57Cl4F5N12O4
• Molecular Weight: 1222.98 g/mol
• Exact Mass: 1220.33
• IUPAC Name: 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• SMILES: Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CNCC2.Fc1ncc(Cl)cc1Cl
• InChI: InChI=1S/C29H28Cl2F2N6O2.C24H27F2N5O2.C5H2Cl2FN/c1-15(2)14-41-25-6-4-5-16(3)26(25)39-27(18-10-22(33)24(11-21(18)32)36-29(34)40)19-13-38(8-7-23(19)37-39)28-20(31)9-17(30)12-35-28;1-13(2)12-33-21-6-4-5-14(3)22(21)31-23(16-11-28-8-7-19(16)30-31)15-9-18(26)20(10-17(15)25)29-24(27)32;6-3-1-4(7)5(8)9-2-3/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H3,34,36,40);4-6,9-10,13,28H,7-8,11-12H2,1-3H3,(H3,27,29,32);1-2H
• InChIKey: ZKEPJVWZLUHZCI-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 205.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1222.98
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The IUPAC name of 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 162143119) is 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

What is the SMILES notation for 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The canonical SMILES for 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CNCC2.Fc1ncc(Cl)cc1Cl.

What is the InChIKey of 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The InChIKey is ZKEPJVWZLUHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2F2N6O2.C24H27F2N5O2.C5H2Cl2FN/c1-15(2)14-41-25-6-4-5-16(3)26(25)39-27(18-10-22(33)24(11-21(18)32)36-29(34)40)19-13-38(8-7-23(19)37-39)28-20(31)9-17(30)12-35-28;1-13(2)12-33-21-6-4-5-14(3)22(21)31-23(16-11-28-8-7-19(16)30-31)15-9-18(26)20(10-17(15)25)29-24(27)32;6-3-1-4(7)5(8)9-2-3/h4-6,9-12,15H,7-8,13-14H2,1-3H3,(H3,34,36,40);4-6,9-10,13,28H,7-8,11-12H2,1-3H3,(H3,27,29,32);1-2H.

What are the key properties of 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 1222.98 g/mol, XLogP of 13.74, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-2-fluoropyridine;[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea;[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 162143119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).