3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C22H18F3N5O3 — CID 16882221

IUPAC3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H18F3N5O3/c1-14-27-20-18(13-26-30(20)16-5-3-2-4-6-16)21(32)29(14)12-11-19(31)28-15-7-9-17(10-8-15)33-22(23,24)25/h2-10,13H,11-12H2,1H3,(H,28,31)
InChIKeyCZFKWECTCILHGC-UHFFFAOYSA-N
MW457.41 g/mol
LogP3.82
Rot. Bonds6

About 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 16882221) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID16882221
Molecular FormulaC22H18F3N5O3
Molecular Weight457.41 g/mol
Exact Mass457.14
IUPAC Name3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H18F3N5O3/c1-14-27-20-18(13-26-30(20)16-5-3-2-4-6-16)21(32)29(14)12-11-19(31)28-15-7-9-17(10-8-15)33-22(23,24)25/h2-10,13H,11-12H2,1H3,(H,28,31)
InChIKeyCZFKWECTCILHGC-UHFFFAOYSA-N
XLogP3.82
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-phenoxyphenyl)propanamide
CID 16881840
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-[3,5-bis(trifluoromethyl)phenyl]-3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883033
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882280
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 16882272
N-(3,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882635
N-(3,4-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882628
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 16882221) is 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is CZFKWECTCILHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-14-27-20-18(13-26-30(20)16-5-3-2-4-6-16)21(32)29(14)12-11-19(31)28-15-7-9-17(10-8-15)33-22(23,24)25/h2-10,13H,11-12H2,1H3,(H,28,31).
What are the key properties of 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 457.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 16882221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).