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

C24H22FN3O2 — CID 68559478

IUPAC1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
SMILESCOc1cc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(C)=O)C3)ccc1F
InChIInChI=1S/C24H22FN3O2/c1-14(29)28-10-9-17-21(13-28)26-20(11-15-7-8-18(25)22(12-15)30-2)24-23(17)16-5-3-4-6-19(16)27-24/h3-8,12,27H,9-11,13H2,1-2H3
InChIKeyWYNIYLDCMXYKAO-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.36
Rot. Bonds3

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

1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone (PubChem CID 68559478) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
PubChem CID68559478
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
SMILESCOc1cc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(C)=O)C3)ccc1F
InChIInChI=1S/C24H22FN3O2/c1-14(29)28-10-9-17-21(13-28)26-20(11-15-7-8-18(25)22(12-15)30-2)24-23(17)16-5-3-4-6-19(16)27-24/h3-8,12,27H,9-11,13H2,1-2H3
InChIKeyWYNIYLDCMXYKAO-UHFFFAOYSA-N
XLogP4.36
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-hydroxy-1-[6-[(4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone
CID 68558078
[6-[(3,5-difluoro-4-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-[(1R,2S)-2-hydroxycyclopentyl]methanone
CID 68559094
6-[(3-fluoro-4-methoxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridine-3-carboxylic acid
CID 90967718
1-[6-(1,3-benzodioxol-5-ylmethyl)-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]-2-hydroxypropan-1-one
CID 44820338
1-[(3R)-3-[[(4S)-6-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-4-yl]amino]piperidin-1-yl]ethanone
CID 44819785
1-[4-[[[1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-hydroxypropyl)-9H-pyrido[3,4-b]indol-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 66955092
6-[(4-methoxyphenyl)methyl]-2,3,4,7-tetrahydro-1H-indolo[2,3-c]quinolin-2-ol
CID 44819444
(1S)-6-[(3-fluoro-4-methoxyphenyl)methyl]-3,3-dimethyl-1,2,4,7-tetrahydroindolo[2,3-c]quinolin-1-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 86641529
7-acetyl-2-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796930
2-[6-[(3-fluoro-4-hydroxyphenyl)methyl]-1-oxo-4,7-dihydro-2H-indolo[2,3-c][1,7]naphthyridin-3-yl]propanamide
CID 91333576
N-[4-[[1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]phenyl]acetamide
CID 45192807

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone (CID 68559478) is 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone is COc1cc(Cc2nc3c(c4c2[nH]c2ccccc24)CCN(C(C)=O)C3)ccc1F.
What is the InChIKey of 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
The InChIKey is WYNIYLDCMXYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-14(29)28-10-9-17-21(13-28)26-20(11-15-7-8-18(25)22(12-15)30-2)24-23(17)16-5-3-4-6-19(16)27-24/h3-8,12,27H,9-11,13H2,1-2H3.
What are the key properties of 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone?
1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone has a molecular weight of 403.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-fluoro-3-methoxyphenyl)methyl]-1,2,4,7-tetrahydroindolo[2,3-c][1,7]naphthyridin-3-yl]ethanone is sourced from PubChem (CID 68559478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).