6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one

C25H24F2N4O4 — CID 175938799

IUPAC6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
SMILESCOc1cc2c(=O)n(-c3ccc4[nH]c(C)cc4c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC
InChIInChI=1S/C25H24F2N4O4/c1-13-10-15-18(28-13)4-5-19(21(15)27)31-12-17(24(32)30-8-6-14(26)7-9-30)22-16(25(31)33)11-20(34-2)23(29-22)35-3/h4-5,10-12,14,28H,6-9H2,1-3H3
InChIKeyPNGIKVRPHDWIQL-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.91
Rot. Bonds4

About 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one

6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one (PubChem CID 175938799) has the molecular formula C25H24F2N4O4 and a molecular weight of 482.49 g/mol. Its IUPAC name is 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
PubChem CID175938799
Molecular FormulaC25H24F2N4O4
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
SMILESCOc1cc2c(=O)n(-c3ccc4[nH]c(C)cc4c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC
InChIInChI=1S/C25H24F2N4O4/c1-13-10-15-18(28-13)4-5-19(21(15)27)31-12-17(24(32)30-8-6-14(26)7-9-30)22-16(25(31)33)11-20(34-2)23(29-22)35-3/h4-5,10-12,14,28H,6-9H2,1-3H3
InChIKeyPNGIKVRPHDWIQL-UHFFFAOYSA-N
XLogP3.91
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
7-(4-fluoro-2-methyl-1H-indol-5-yl)-2,3-dimethoxy-1,7-naphthyridin-8-one
CID 175939008
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
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
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
6,7-dimethoxy-4-(piperidine-1-carbonyl)-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)isoquinolin-1-one
CID 175938979
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
6,7-dimethoxy-2-(6-methoxy-1H-indol-4-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938805

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The IUPAC name of 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one (CID 175938799) is 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one is COc1cc2c(=O)n(-c3ccc4[nH]c(C)cc4c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC.
What is the InChIKey of 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The InChIKey is PNGIKVRPHDWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4/c1-13-10-15-18(28-13)4-5-19(21(15)27)31-12-17(24(32)30-8-6-14(26)7-9-30)22-16(25(31)33)11-20(34-2)23(29-22)35-3/h4-5,10-12,14,28H,6-9H2,1-3H3.
What are the key properties of 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one has a molecular weight of 482.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one is sourced from PubChem (CID 175938799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).