3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one

C18H18N2O4 — CID 10426523

IUPAC3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one
SMILESCOc1cc2c(c(OC)c1OC)C(=O)C(Cc1ccncc1)=C2N
InChIInChI=1S/C18H18N2O4/c1-22-13-9-11-14(18(24-3)17(13)23-2)16(21)12(15(11)19)8-10-4-6-20-7-5-10/h4-7,9H,8,19H2,1-3H3
InChIKeyIVHLBAHHZSBJRM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one

3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one (PubChem CID 10426523) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one.

Molecular Properties

Compound Name3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one
PubChem CID10426523
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one
SMILESCOc1cc2c(c(OC)c1OC)C(=O)C(Cc1ccncc1)=C2N
InChIInChI=1S/C18H18N2O4/c1-22-13-9-11-14(18(24-3)17(13)23-2)16(21)12(15(11)19)8-10-4-6-20-7-5-10/h4-7,9H,8,19H2,1-3H3
InChIKeyIVHLBAHHZSBJRM-UHFFFAOYSA-N
XLogP2.22
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-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

6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine
CID 18374632
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2292355
pyridin-4-ylmethanol;3,4,5-trimethoxybenzoic acid;hydrochloride
CID 20833884
5,6,8-trimethoxyisoquinoline
CID 15715766
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
(4E)-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 108702565
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
5-methoxy-7-pentyl-3-(pyridin-4-ylmethyl)chromen-2-one
CID 164626287
(4E)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108634480
4-chloro-2,5-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 1075667
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CID 108702566

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one?
The IUPAC name of 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one (CID 10426523) is 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one.
What is the SMILES notation for 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one?
The canonical SMILES for 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one is COc1cc2c(c(OC)c1OC)C(=O)C(Cc1ccncc1)=C2N.
What is the InChIKey of 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one?
The InChIKey is IVHLBAHHZSBJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-13-9-11-14(18(24-3)17(13)23-2)16(21)12(15(11)19)8-10-4-6-20-7-5-10/h4-7,9H,8,19H2,1-3H3.
What are the key properties of 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one?
3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one has a molecular weight of 326.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7-trimethoxy-2-(pyridin-4-ylmethyl)inden-1-one is sourced from PubChem (CID 10426523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).