2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C19H17F3N4O2 — CID 91908626

IUPAC2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCC3
InChIInChI=1S/C19H17F3N4O2/c1-11-8-14-17(18(28)25-7-3-6-15(25)24-14)26(11)10-16(27)23-13-5-2-4-12(9-13)19(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,23,27)
InChIKeyLQCJVRGHQLHWIR-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.11
Rot. Bonds3

About 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91908626) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91908626
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCC3
InChIInChI=1S/C19H17F3N4O2/c1-11-8-14-17(18(28)25-7-3-6-15(25)24-14)26(11)10-16(27)23-13-5-2-4-12(9-13)19(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,23,27)
InChIKeyLQCJVRGHQLHWIR-UHFFFAOYSA-N
XLogP3.11
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-(dimethylamino)propyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 660048
3-(cyanomethyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 948293
2-amino-5-benzyl-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749905
2-amino-5-[(4-fluorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749907
1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3670747
N-(3-aminopropyl)-N-[1-(3-benzyl-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54758308
N-(4-fluorophenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
CID 164617067
2-(4-fluorophenyl)-1-oxo-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
CID 164618573
2-(4-fluorophenyl)-3-methyl-1-oxo-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
CID 164622796
2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1507364
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 155547303
US10065972, Example 706
CID 124153404

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 91908626) is 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCC3.
What is the InChIKey of 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LQCJVRGHQLHWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-8-14-17(18(28)25-7-3-6-15(25)24-14)26(11)10-16(27)23-13-5-2-4-12(9-13)19(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,23,27).
What are the key properties of 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91908626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).