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

C32H34F3N5O2 — CID 139296289

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

[2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 139296289) has the molecular formula C32H34F3N5O2 and a molecular weight of 577.65 g/mol. Its IUPAC name is [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• PubChem CID: 139296289
• Molecular Formula: C32H34F3N5O2
• Molecular Weight: 577.65 g/mol
• Exact Mass: 577.27
• IUPAC Name: [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• SMILES: CC(C)COc1cccc(F)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccccc1)CC2
• InChI: InChI=1S/C32H34F3N5O2/c1-19(2)18-42-28-12-8-11-23(33)30(28)40-29(21-15-25(35)27(16-24(21)34)37-31(36)41)22-17-39(14-13-26(22)38-40)32(3,4)20-9-6-5-7-10-20/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H3,36,37,41)
• InChIKey: GWRDZILKOHTGAP-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 85.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.65
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 139296289) is [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

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

The canonical SMILES for [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is CC(C)COc1cccc(F)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccccc1)CC2.

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

The InChIKey is GWRDZILKOHTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O2/c1-19(2)18-42-28-12-8-11-23(33)30(28)40-29(21-15-25(35)27(16-24(21)34)37-31(36)41)22-17-39(14-13-26(22)38-40)32(3,4)20-9-6-5-7-10-20/h5-12,15-16,19H,13-14,17-18H2,1-4H3,(H3,36,37,41).

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

[2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 577.65 g/mol, XLogP of 6.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,5-difluoro-4-[2-[2-fluoro-6-(2-methylpropoxy)phenyl]-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 139296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).