2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C24H21F3N4O2 — CID 46396099

IUPAC2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCc4cccc(C(F)(F)F)c4)ccc32)cc1
InChIInChI=1S/C24H21F3N4O2/c1-15-6-8-19(9-7-15)31-20-10-11-30(23(33)22(20)16(2)29-31)14-21(32)28-13-17-4-3-5-18(12-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,32)
InChIKeyRSJZCULBFUTERR-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.14
Rot. Bonds5

About 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 46396099) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID46396099
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCc4cccc(C(F)(F)F)c4)ccc32)cc1
InChIInChI=1S/C24H21F3N4O2/c1-15-6-8-19(9-7-15)31-20-10-11-30(23(33)22(20)16(2)29-31)14-21(32)28-13-17-4-3-5-18(12-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,32)
InChIKeyRSJZCULBFUTERR-UHFFFAOYSA-N
XLogP4.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 27515012
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 29417044
2-[4-methyl-3-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011683
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
2-(3-aminopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 62102363
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
N-[(4-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906423
N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278519

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 46396099) is 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCc4cccc(C(F)(F)F)c4)ccc32)cc1.
What is the InChIKey of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is RSJZCULBFUTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-15-6-8-19(9-7-15)31-20-10-11-30(23(33)22(20)16(2)29-31)14-21(32)28-13-17-4-3-5-18(12-17)24(25,26)27/h3-12H,13-14H2,1-2H3,(H,28,32).
What are the key properties of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 454.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46396099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).