N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide

C23H19ClF2N6O2 — CID 118095280

IUPACN-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1cn(C)c2c1C(=O)N(c1cc(C)c3nnc(C(F)F)n3c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF2N6O2/c1-11-8-15(9-31-21(11)28-29-22(31)20(25)26)32-18(13-4-6-14(24)7-5-13)19-17(23(32)34)16(10-30(19)3)27-12(2)33/h4-10,18,20H,1-3H3,(H,27,33)
InChIKeyUCOMAESNVXJEIJ-UHFFFAOYSA-N
MW484.89 g/mol
LogP4.68
Rot. Bonds4

About N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide

N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide (PubChem CID 118095280) has the molecular formula C23H19ClF2N6O2 and a molecular weight of 484.89 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide
PubChem CID118095280
Molecular FormulaC23H19ClF2N6O2
Molecular Weight484.89 g/mol
Exact Mass484.12
IUPAC NameN-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1cn(C)c2c1C(=O)N(c1cc(C)c3nnc(C(F)F)n3c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF2N6O2/c1-11-8-15(9-31-21(11)28-29-22(31)20(25)26)32-18(13-4-6-14(24)7-5-13)19-17(23(32)34)16(10-30(19)3)27-12(2)33/h4-10,18,20H,1-3H3,(H,27,33)
InChIKeyUCOMAESNVXJEIJ-UHFFFAOYSA-N
XLogP4.68
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]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

N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide
CID 118095174
[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]carbamic acid
CID 118095234
6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-3-(1-methylazetidin-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
CID 122553393
2-bromo-4-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-prop-2-enyl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 121282696
6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 121268849
tert-butyl N-[6-[6-(4-chlorophenyl)-3-cyclopropyl-1-methyl-4-oxo-6H-pyrrolo[3,4-d]pyrazol-5-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]carbamate
CID 86293559
4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-[3-(fluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567248
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-(1-methylazetidin-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826356
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(1,3-oxazol-2-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567365
(4R)-4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567782
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567305
ethyl 3-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylate
CID 91826355

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide (CID 118095280) is N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide is CC(=O)Nc1cn(C)c2c1C(=O)N(c1cc(C)c3nnc(C(F)F)n3c1)C2c1ccc(Cl)cc1.
What is the InChIKey of N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide?
The InChIKey is UCOMAESNVXJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N6O2/c1-11-8-15(9-31-21(11)28-29-22(31)20(25)26)32-18(13-4-6-14(24)7-5-13)19-17(23(32)34)16(10-30(19)3)27-12(2)33/h4-10,18,20H,1-3H3,(H,27,33).
What are the key properties of N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide?
N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide has a molecular weight of 484.89 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-5-[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methyl-4-oxo-6H-pyrrolo[3,4-b]pyrrol-3-yl]acetamide is sourced from PubChem (CID 118095280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).