N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine

C24H21FN6O3 — CID 71559188

IUPACN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncco2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C24H21FN6O3/c1-30-13-16(12-28-30)15-8-19-18(27-11-15)4-5-22(29-19)31(14-23-26-6-7-34-23)20-9-17(32-2)10-21(33-3)24(20)25/h4-13H,14H2,1-3H3
InChIKeyODRNQGSZGLHVGG-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.51
Rot. Bonds7

About N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine

N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine (PubChem CID 71559188) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine
PubChem CID71559188
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC NameN-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(N(Cc2ncco2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1
InChIInChI=1S/C24H21FN6O3/c1-30-13-16(12-28-30)15-8-19-18(27-11-15)4-5-22(29-19)31(14-23-26-6-7-34-23)20-9-17(32-2)10-21(33-3)24(20)25/h4-13H,14H2,1-3H3
InChIKeyODRNQGSZGLHVGG-UHFFFAOYSA-N
XLogP4.51
TPSA91.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 71558885
5-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 89534029
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]ethane-1,2-diamine
CID 89534049
4-(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)butanenitrile
CID 89534228
N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)-1,5-naphthyridin-2-amine
CID 89534322
US10457677, Example 113
CID 134325514
US10457677, Example 204
CID 134325540
2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-(3-methoxy-2-pyridinyl)acetamide
CID 68209156
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]-1-methylpyrrolidin-2-one
CID 71558731
N-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(pyrimidin-2-ylmethyl)-1,5-naphthyridin-2-amine
CID 71558884
3-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-1-ol
CID 71558887
5-[(2-fluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 71559039

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine?
The IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine (CID 71559188) is N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine is COc1cc(OC)c(F)c(N(Cc2ncco2)c2ccc3ncc(-c4cnn(C)c4)cc3n2)c1.
What is the InChIKey of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine?
The InChIKey is ODRNQGSZGLHVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-30-13-16(12-28-30)15-8-19-18(27-11-15)4-5-22(29-19)31(14-23-26-6-7-34-23)20-9-17(32-2)10-21(33-3)24(20)25/h4-13H,14H2,1-3H3.
What are the key properties of N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine?
N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine has a molecular weight of 460.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3,5-dimethoxyphenyl)-7-(1-methylpyrazol-4-yl)-N-(1,3-oxazol-2-ylmethyl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 71559188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).