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

C22H20FN5O2 — CID 16882588

IUPAC3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H20FN5O2/c1-14-4-3-5-17(12-14)26-20(29)10-11-27-15(2)25-21-19(22(27)30)13-24-28(21)18-8-6-16(23)7-9-18/h3-9,12-13H,10-11H2,1-2H3,(H,26,29)
InChIKeyQWPNUBVJCPRVRI-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.37
Rot. Bonds5

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

3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide (PubChem CID 16882588) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
PubChem CID16882588
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H20FN5O2/c1-14-4-3-5-17(12-14)26-20(29)10-11-27-15(2)25-21-19(22(27)30)13-24-28(21)18-8-6-16(23)7-9-18/h3-9,12-13H,10-11H2,1-2H3,(H,26,29)
InChIKeyQWPNUBVJCPRVRI-UHFFFAOYSA-N
XLogP3.37
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882628
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635
N-(3-acetamidophenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883077
4-[3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoylamino]benzamide
CID 16882690
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 16882592
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-[(2,6-difluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882676
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556
N-(2,5-dichlorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882626
N-(2,6-dimethylphenyl)-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883026

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide (CID 16882588) is 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCn2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is QWPNUBVJCPRVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-4-3-5-17(12-14)26-20(29)10-11-27-15(2)25-21-19(22(27)30)13-24-28(21)18-8-6-16(23)7-9-18/h3-9,12-13H,10-11H2,1-2H3,(H,26,29).
What are the key properties of 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide?
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 405.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 16882588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).