6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one

C27H28F2N4O5 — CID 175938936

IUPAC6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
SMILESCOc1cc2c(=O)n(-c3ccc4c(cc(C)n4CCO)c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC
InChIInChI=1S/C27H28F2N4O5/c1-15-12-17-20(32(15)10-11-34)4-5-21(23(17)29)33-14-19(26(35)31-8-6-16(28)7-9-31)24-18(27(33)36)13-22(37-2)25(30-24)38-3/h4-5,12-14,16,34H,6-11H2,1-3H3
InChIKeyNALAHAXHVDFMKV-UHFFFAOYSA-N
MW526.54 g/mol
LogP3.37
Rot. Bonds6

About 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one

6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one (PubChem CID 175938936) has the molecular formula C27H28F2N4O5 and a molecular weight of 526.54 g/mol. Its IUPAC name is 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
PubChem CID175938936
Molecular FormulaC27H28F2N4O5
Molecular Weight526.54 g/mol
Exact Mass526.20
IUPAC Name6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
SMILESCOc1cc2c(=O)n(-c3ccc4c(cc(C)n4CCO)c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC
InChIInChI=1S/C27H28F2N4O5/c1-15-12-17-20(32(15)10-11-34)4-5-21(23(17)29)33-14-19(26(35)31-8-6-16(28)7-9-31)24-18(27(33)36)13-22(37-2)25(30-24)38-3/h4-5,12-14,16,34H,6-11H2,1-3H3
InChIKeyNALAHAXHVDFMKV-UHFFFAOYSA-N
XLogP3.37
TPSA98.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-2-methyl-1H-indol-5-yl)-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one
CID 175938799
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
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
(3-fluoro-4-methoxyphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815008
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5,6-dimethoxy-1-(2-methoxyethyl)indol-3-yl]methanone
CID 66973708
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The IUPAC name of 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) is 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one is COc1cc2c(=O)n(-c3ccc4c(cc(C)n4CCO)c3F)cc(C(=O)N3CCC(F)CC3)c2nc1OC.
What is the InChIKey of 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
The InChIKey is NALAHAXHVDFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O5/c1-15-12-17-20(32(15)10-11-34)4-5-21(23(17)29)33-14-19(26(35)31-8-6-16(28)7-9-31)24-18(27(33)36)13-22(37-2)25(30-24)38-3/h4-5,12-14,16,34H,6-11H2,1-3H3.
What are the key properties of 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one?
6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one has a molecular weight of 526.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-1-(2-hydroxyethyl)-2-methylindol-5-yl]-8-(4-fluoropiperidine-1-carbonyl)-2,3-dimethoxy-1,6-naphthyridin-5-one is sourced from PubChem (CID 175938936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).