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

C23H22FN5O2 — CID 16882579

IUPACN-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCn1c(C)nc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C23H22FN5O2/c1-3-27(18-7-5-4-6-8-18)21(30)13-14-28-16(2)26-22-20(23(28)31)15-25-29(22)19-11-9-17(24)10-12-19/h4-12,15H,3,13-14H2,1-2H3
InChIKeyKRQZJAVLOBJMGV-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.47
Rot. Bonds6

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

N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide (PubChem CID 16882579) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
PubChem CID16882579
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCn1c(C)nc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C23H22FN5O2/c1-3-27(18-7-5-4-6-8-18)21(30)13-14-28-16(2)26-22-20(23(28)31)15-25-29(22)19-11-9-17(24)10-12-19/h4-12,15H,3,13-14H2,1-2H3
InChIKeyKRQZJAVLOBJMGV-UHFFFAOYSA-N
XLogP3.47
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882556
N-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882557
1-(4-fluorophenyl)-6-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882521
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882679
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882681
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 16881802
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-phenylpropyl)propanamide
CID 16882574
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-methylphenyl)propanamide
CID 16882588
N-[(2,6-difluorophenyl)methyl]-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882676
N-ethyl-N-(4-fluorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43040078
N-(2,5-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide (CID 16882579) is N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide is CCN(C(=O)CCn1c(C)nc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccccc1.
What is the InChIKey of N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide?
The InChIKey is KRQZJAVLOBJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-3-27(18-7-5-4-6-8-18)21(30)13-14-28-16(2)26-22-20(23(28)31)15-25-29(22)19-11-9-17(24)10-12-19/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide?
N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide has a molecular weight of 419.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 16882579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).