N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

C23H22FN5O4 — CID 16882640

IUPACN-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H22FN5O4/c1-14-26-22-18(13-25-29(22)16-6-4-15(24)5-7-16)23(31)28(14)11-10-21(30)27-19-12-17(32-2)8-9-20(19)33-3/h4-9,12-13H,10-11H2,1-3H3,(H,27,30)
InChIKeyGIYBUQYJECHTPL-UHFFFAOYSA-N
MW451.46 g/mol
LogP3.08
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (PubChem CID 16882640) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
PubChem CID16882640
Molecular FormulaC23H22FN5O4
Molecular Weight451.46 g/mol
Exact Mass451.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H22FN5O4/c1-14-26-22-18(13-25-29(22)16-6-4-15(24)5-7-16)23(31)28(14)11-10-21(30)27-19-12-17(32-2)8-9-20(19)33-3/h4-9,12-13H,10-11H2,1-3H3,(H,27,30)
InChIKeyGIYBUQYJECHTPL-UHFFFAOYSA-N
XLogP3.08
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882251
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635
N-(2,5-dichlorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882626
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
N-(3,4-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882628
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
CID 16882588
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 16882592
4-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
CID 16882690
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882681
N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (CID 16882640) is N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is COc1ccc(OC)c(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The InChIKey is GIYBUQYJECHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4/c1-14-26-22-18(13-25-29(22)16-6-4-15(24)5-7-16)23(31)28(14)11-10-21(30)27-19-12-17(32-2)8-9-20(19)33-3/h4-9,12-13H,10-11H2,1-3H3,(H,27,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide has a molecular weight of 451.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 16882640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).