[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

C32H34F3N5O — CID 139296305

IUPAC[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccc(F)cc1)CC2
InChIInChI=1S/C32H34F3N5O/c1-5-19-8-7-9-20(6-2)29(19)40-30(23-16-26(35)28(17-25(23)34)37-31(36)41)24-18-39(15-14-27(24)38-40)32(3,4)21-10-12-22(33)13-11-21/h7-13,16-17H,5-6,14-15,18H2,1-4H3,(H3,36,37,41)
InChIKeyUNDSABQBPWQCGE-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.87
Rot. Bonds7

About [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296305) has the molecular formula C32H34F3N5O and a molecular weight of 561.65 g/mol. Its IUPAC name is [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

Molecular Properties

Compound Name[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296305
Molecular FormulaC32H34F3N5O
Molecular Weight561.65 g/mol
Exact Mass561.27
IUPAC Name[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccc(F)cc1)CC2
InChIInChI=1S/C32H34F3N5O/c1-5-19-8-7-9-20(6-2)29(19)40-30(23-16-26(35)28(17-25(23)34)37-31(36)41)24-18-39(15-14-27(24)38-40)32(3,4)21-10-12-22(33)13-11-21/h7-13,16-17H,5-6,14-15,18H2,1-4H3,(H3,36,37,41)
InChIKeyUNDSABQBPWQCGE-UHFFFAOYSA-N
XLogP6.87
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296305) is [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.
What is the SMILES notation for [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The canonical SMILES for [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-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(C(C)(C)c1ccc(F)cc1)CC2.
What is the InChIKey of [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is UNDSABQBPWQCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N5O/c1-5-19-8-7-9-20(6-2)29(19)40-30(23-16-26(35)28(17-25(23)34)37-31(36)41)24-18-39(15-14-27(24)38-40)32(3,4)21-10-12-22(33)13-11-21/h7-13,16-17H,5-6,14-15,18H2,1-4H3,(H3,36,37,41).
What are the key properties of [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 561.65 g/mol, XLogP of 6.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-diethylphenyl)-5-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).