1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one

C26H26FN3O3 — CID 68574430

IUPAC1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CC(C)O)C3)cc1F
InChIInChI=1S/C26H26FN3O3/c1-15(31)11-24(32)30-10-9-18-22(14-30)28-21(13-16-7-8-23(33-2)19(27)12-16)26-25(18)17-5-3-4-6-20(17)29-26/h3-8,12,15,29,31H,9-11,13-14H2,1-2H3
InChIKeyGOVDMJNDHSRVQI-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.11
Rot. Bonds5

About 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one

1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one (PubChem CID 68574430) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one
PubChem CID68574430
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one
SMILESCOc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CC(C)O)C3)cc1F
InChIInChI=1S/C26H26FN3O3/c1-15(31)11-24(32)30-10-9-18-22(14-30)28-21(13-16-7-8-23(33-2)19(27)12-16)26-25(18)17-5-3-4-6-20(17)29-26/h3-8,12,15,29,31H,9-11,13-14H2,1-2H3
InChIKeyGOVDMJNDHSRVQI-UHFFFAOYSA-N
XLogP4.11
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-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 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one?
The IUPAC name of 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one (CID 68574430) is 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one?
The canonical SMILES for 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one is COc1ccc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(=O)CC(C)O)C3)cc1F.
What is the InChIKey of 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one?
The InChIKey is GOVDMJNDHSRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-15(31)11-24(32)30-10-9-18-22(14-30)28-21(13-16-7-8-23(33-2)19(27)12-16)26-25(18)17-5-3-4-6-20(17)29-26/h3-8,12,15,29,31H,9-11,13-14H2,1-2H3.
What are the key properties of 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one?
1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one has a molecular weight of 447.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 68574430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).