(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one

C19H20N2O2 — CID 102425782

IUPAC(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(CN2C(=O)c3ccncc3/C2=C\C(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)10-18-17-11-20-9-8-16(17)19(22)21(18)12-14-4-6-15(23-3)7-5-14/h4-11,13H,12H2,1-3H3/b18-10+
InChIKeyJAOCWJHYFUWFSD-VCHYOVAHSA-N
MW308.38 g/mol
LogP3.74
Rot. Bonds4

About (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one

(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one (PubChem CID 102425782) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one
PubChem CID102425782
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(CN2C(=O)c3ccncc3/C2=C\C(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)10-18-17-11-20-9-8-16(17)19(22)21(18)12-14-4-6-15(23-3)7-5-14/h4-11,13H,12H2,1-3H3/b18-10+
InChIKeyJAOCWJHYFUWFSD-VCHYOVAHSA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)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

Related Compounds

2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
2-[(3-amino-4-methoxyphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303826
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
2-[[4-(2-aminoethyl)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303668
(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
CID 71479587
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
7-[(4-methoxyphenyl)methyl]-18-[(4-methylphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 164766706
(5E)-3-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2178293
2-[(3-chlorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 3551764
(4Z)-4-[(1-benzylpyrazol-4-yl)methylidene]-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 34427262
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621

Frequently Asked Questions

What is the IUPAC name of (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one (CID 102425782) is (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one is COc1ccc(CN2C(=O)c3ccncc3/C2=C\C(C)C)cc1.
What is the InChIKey of (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is JAOCWJHYFUWFSD-VCHYOVAHSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)10-18-17-11-20-9-8-16(17)19(22)21(18)12-14-4-6-15(23-3)7-5-14/h4-11,13H,12H2,1-3H3/b18-10+.
What are the key properties of (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one?
(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 102425782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).