2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide

C32H29F2N5O3 — CID 137204238

IUPAC2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide
SMILESCCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(O)c(Cc2ccc(-c3ccc(F)cc3C(N)=O)cc2F)c1=O
InChIInChI=1S/C32H29F2N5O3/c1-4-18-7-6-8-19(5-2)28(18)39-30(27-13-14-38(3)37-27)36-31(41)25(32(39)42)15-21-10-9-20(16-26(21)34)23-12-11-22(33)17-24(23)29(35)40/h6-14,16-17,41H,4-5,15H2,1-3H3,(H2,35,40)
InChIKeyQZRDVONRINKQIL-UHFFFAOYSA-N
MW569.61 g/mol
LogP5.10
Rot. Bonds8

About 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide

2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide (PubChem CID 137204238) has the molecular formula C32H29F2N5O3 and a molecular weight of 569.61 g/mol. Its IUPAC name is 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide
PubChem CID137204238
Molecular FormulaC32H29F2N5O3
Molecular Weight569.61 g/mol
Exact Mass569.22
IUPAC Name2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide
SMILESCCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(O)c(Cc2ccc(-c3ccc(F)cc3C(N)=O)cc2F)c1=O
InChIInChI=1S/C32H29F2N5O3/c1-4-18-7-6-8-19(5-2)28(18)39-30(27-13-14-38(3)37-27)36-31(41)25(32(39)42)15-21-10-9-20(16-26(21)34)23-12-11-22(33)17-24(23)29(35)40/h6-14,16-17,41H,4-5,15H2,1-3H3,(H2,35,40)
InChIKeyQZRDVONRINKQIL-UHFFFAOYSA-N
XLogP5.10
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.61
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide 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 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide?
The IUPAC name of 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide (CID 137204238) is 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide.
What is the SMILES notation for 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide?
The canonical SMILES for 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide is CCc1cccc(CC)c1-n1c(-c2ccn(C)n2)nc(O)c(Cc2ccc(-c3ccc(F)cc3C(N)=O)cc2F)c1=O.
What is the InChIKey of 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide?
The InChIKey is QZRDVONRINKQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O3/c1-4-18-7-6-8-19(5-2)28(18)39-30(27-13-14-38(3)37-27)36-31(41)25(32(39)42)15-21-10-9-20(16-26(21)34)23-12-11-22(33)17-24(23)29(35)40/h6-14,16-17,41H,4-5,15H2,1-3H3,(H2,35,40).
What are the key properties of 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide?
2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide has a molecular weight of 569.61 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2,6-diethylphenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]-5-fluorobenzamide is sourced from PubChem (CID 137204238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).