8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one

C26H17ClF3N5O2 — CID 155568631

IUPAC8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF3N5O2/c1-13-10-14-6-8-33-25(22(14)26(36)35(13)19-4-2-15(28)11-17(19)29)34-16-3-5-20(18(30)12-16)37-21-7-9-32-24(31)23(21)27/h2-12H,1H3,(H2,31,32)(H,33,34)
InChIKeySGYCGPMBUWGLHB-UHFFFAOYSA-N
MW523.90 g/mol
LogP6.28
Rot. Bonds5

About 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one

8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one (PubChem CID 155568631) has the molecular formula C26H17ClF3N5O2 and a molecular weight of 523.90 g/mol. Its IUPAC name is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one
PubChem CID155568631
Molecular FormulaC26H17ClF3N5O2
Molecular Weight523.90 g/mol
Exact Mass523.10
IUPAC Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF3N5O2/c1-13-10-14-6-8-33-25(22(14)26(36)35(13)19-4-2-15(28)11-17(19)29)34-16-3-5-20(18(30)12-16)37-21-7-9-32-24(31)23(21)27/h2-12H,1H3,(H2,31,32)(H,33,34)
InChIKeySGYCGPMBUWGLHB-UHFFFAOYSA-N
XLogP6.28
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.90
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one (CID 155568631) is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one is Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1F.
What is the InChIKey of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The InChIKey is SGYCGPMBUWGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N5O2/c1-13-10-14-6-8-33-25(22(14)26(36)35(13)19-4-2-15(28)11-17(19)29)34-16-3-5-20(18(30)12-16)37-21-7-9-32-24(31)23(21)27/h2-12H,1H3,(H2,31,32)(H,33,34).
What are the key properties of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one has a molecular weight of 523.90 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(2,4-difluorophenyl)-3-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 155568631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).