2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C25H23F3N2O3 — CID 155595460

IUPAC2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(-c3ccccc3OCC(F)(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O
InChIInChI=1S/C25H23F3N2O3/c1-15-12-19-20(13-30(23(19)31)17-10-8-16(9-11-17)24(2,3)32)22(29-15)18-6-4-5-7-21(18)33-14-25(26,27)28/h4-12,32H,13-14H2,1-3H3
InChIKeyRYXSUMCMWLQTPN-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.39
Rot. Bonds5

About 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 155595460) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID155595460
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(-c3ccccc3OCC(F)(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O
InChIInChI=1S/C25H23F3N2O3/c1-15-12-19-20(13-30(23(19)31)17-10-8-16(9-11-17)24(2,3)32)22(29-15)18-6-4-5-7-21(18)33-14-25(26,27)28/h4-12,32H,13-14H2,1-3H3
InChIKeyRYXSUMCMWLQTPN-UHFFFAOYSA-N
XLogP5.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 155595460) is 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cc2c(c(-c3ccccc3OCC(F)(F)F)n1)CN(c1ccc(C(C)(C)O)cc1)C2=O.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is RYXSUMCMWLQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-15-12-19-20(13-30(23(19)31)17-10-8-16(9-11-17)24(2,3)32)22(29-15)18-6-4-5-7-21(18)33-14-25(26,27)28/h4-12,32H,13-14H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 456.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)phenyl]-6-methyl-4-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 155595460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).