3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine

C23H25F2N3O2 — CID 139395827

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CCC(C)(C)C3)n2)c1F
InChIInChI=1S/C23H25F2N3O2/c1-13-8-15-14(11-26-13)9-16(27-22(15)28-7-6-23(2,3)12-28)19-20(24)17(29-4)10-18(30-5)21(19)25/h8-11H,6-7,12H2,1-5H3
InChIKeyQTVAUKIXQRUBEG-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.14
Rot. Bonds4

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine

3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine (PubChem CID 139395827) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine
PubChem CID139395827
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CCC(C)(C)C3)n2)c1F
InChIInChI=1S/C23H25F2N3O2/c1-13-8-15-14(11-26-13)9-16(27-22(15)28-7-6-23(2,3)12-28)19-20(24)17(29-4)10-18(30-5)21(19)25/h8-11H,6-7,12H2,1-5H3
InChIKeyQTVAUKIXQRUBEG-UHFFFAOYSA-N
XLogP5.14
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-methylsulfanylpyrido[3,4-d]pyrimidine
CID 135180928
1-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 159474629
N-[(3R,4S)-4-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-5-(2,6-dimethylmorpholin-4-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135181426
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methylazetidin-1-yl)-2-pyridin-3-ylpyrido[3,4-d]pyrimidine
CID 146283441
8-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine;ethane
CID 142381459
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 139395841
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
4-[7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-yl]morpholine
CID 135181397
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine (CID 139395827) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine is COc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CCC(C)(C)C3)n2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine?
The InChIKey is QTVAUKIXQRUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-13-8-15-14(11-26-13)9-16(27-22(15)28-7-6-23(2,3)12-28)19-20(24)17(29-4)10-18(30-5)21(19)25/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine has a molecular weight of 413.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-(3,3-dimethylpyrrolidin-1-yl)-7-methyl-2,6-naphthyridine is sourced from PubChem (CID 139395827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).