[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

C34H41N5O2 — CID 139296764

About [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 139296764) has the molecular formula C34H41N5O2 and a molecular weight of 551.74 g/mol. Its IUPAC name is [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• PubChem CID: 139296764
• Molecular Formula: C34H41N5O2
• Molecular Weight: 551.74 g/mol
• Exact Mass: 551.33
• IUPAC Name: [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• SMILES: Cc1cc(C)c(CN2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4ccc(NC(N)=O)cc4)c3C2)c(C)c1
• InChI: InChI=1S/C34H41N5O2/c1-21(2)20-41-31-9-7-8-23(4)32(31)39-33(26-10-12-27(13-11-26)36-34(35)40)29-19-38(15-14-30(29)37-39)18-28-24(5)16-22(3)17-25(28)6/h7-13,16-17,21H,14-15,18-20H2,1-6H3,(H3,35,36,40)
• InChIKey: DGXZOIQSKWDCJF-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 85.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.74
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The IUPAC name of [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 139296764) is [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

What is the SMILES notation for [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The canonical SMILES for [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is Cc1cc(C)c(CN2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4ccc(NC(N)=O)cc4)c3C2)c(C)c1.

What is the InChIKey of [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The InChIKey is DGXZOIQSKWDCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O2/c1-21(2)20-41-31-9-7-8-23(4)32(31)39-33(26-10-12-27(13-11-26)36-34(35)40)29-19-38(15-14-30(29)37-39)18-28-24(5)16-22(3)17-25(28)6/h7-13,16-17,21H,14-15,18-20H2,1-6H3,(H3,35,36,40).

What are the key properties of [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

[4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 551.74 g/mol, XLogP of 6.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[(2,4,6-trimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 139296764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).