7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one

C26H26F2N4O4 — CID 175938795

IUPAC7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one
SMILES[2H]C([2H])([2H])n1c(C)cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4cc(OC)c(OC)nc4c3=O)ccc21
InChIInChI=1S/C26H26F2N4O4/c1-14-11-17-19(30(14)2)5-6-20(22(17)28)32-13-18(25(33)31-9-7-15(27)8-10-31)16-12-21(35-3)24(36-4)29-23(16)26(32)34/h5-6,11-13,15H,7-10H2,1-4H3/i2D3
InChIKeyJZUFSLBUTPSHIX-BMSJAHLVSA-N
MW499.53 g/mol
LogP3.92
Rot. Bonds5

About 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one

7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one (PubChem CID 175938795) has the molecular formula C26H26F2N4O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one
PubChem CID175938795
Molecular FormulaC26H26F2N4O4
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC Name7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one
SMILES[2H]C([2H])([2H])n1c(C)cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4cc(OC)c(OC)nc4c3=O)ccc21
InChIInChI=1S/C26H26F2N4O4/c1-14-11-17-19(30(14)2)5-6-20(22(17)28)32-13-18(25(33)31-9-7-15(27)8-10-31)16-12-21(35-3)24(36-4)29-23(16)26(32)34/h5-6,11-13,15H,7-10H2,1-4H3/i2D3
InChIKeyJZUFSLBUTPSHIX-BMSJAHLVSA-N
XLogP3.92
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-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-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938880
6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938936
6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938799
6-(4-fluoro-1,2-dimethylindol-5-yl)-3-(fluoromethoxy)-8-(4-fluoropiperidine-1-carbonyl)-2-methoxypyrido[2,3-d]pyridazin-5-one
CID 176774333
2-(4-fluoro-1,2-dimethylindol-5-yl)-7-(fluoromethoxy)-4-(4-fluoropiperidine-1-carbonyl)isoquinolin-1-one
CID 175938839
6-(1-cyclopropyl-4-fluoro-2-methylindol-5-yl)-2-(cyclopropylmethoxy)-8-(4-fluoropiperidine-1-carbonyl)-1,6-naphthyridin-5-one
CID 176774311
2-(1-cyclopropyl-6-fluoroindol-4-yl)-6,7-dimethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938937
2-[6-fluoro-1-(trideuteriomethyl)indol-4-yl]-4-(piperidine-1-carbonyl)-6,7-bis(trideuteriomethoxy)isoquinolin-1-one
CID 175938853
(3-fluoro-4-methoxyphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815008
2-ethyl-6,7-dimethoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)isoquinolin-1-one
CID 71565996
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185

Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one?
The IUPAC name of 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one (CID 175938795) is 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one is [2H]C([2H])([2H])n1c(C)cc2c(F)c(-n3cc(C(=O)N4CCC(F)CC4)c4cc(OC)c(OC)nc4c3=O)ccc21.
What is the InChIKey of 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one?
The InChIKey is JZUFSLBUTPSHIX-BMSJAHLVSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c1-14-11-17-19(30(14)2)5-6-20(22(17)28)32-13-18(25(33)31-9-7-15(27)8-10-31)16-12-21(35-3)24(36-4)29-23(16)26(32)34/h5-6,11-13,15H,7-10H2,1-4H3/i2D3.
What are the key properties of 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one?
7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one has a molecular weight of 499.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-2-methyl-1-(trideuteriomethyl)indol-5-yl]-5-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,7-naphthyridin-8-one is sourced from PubChem (CID 175938795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).