3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one

C27H27F2N5O3 — CID 118400018

IUPAC3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCOCC4)cn3)cc21
InChIInChI=1S/C27H27F2N5O3/c1-2-34-23-15-25(30-16-18(23)14-20(27(34)35)26-21(28)4-3-5-22(26)29)32-24-7-6-19(17-31-24)37-13-10-33-8-11-36-12-9-33/h3-7,14-17H,2,8-13H2,1H3,(H,30,31,32)
InChIKeyBFNHAZCIZGUUCY-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.21
Rot. Bonds8

About 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one

3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one (PubChem CID 118400018) has the molecular formula C27H27F2N5O3 and a molecular weight of 507.54 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one
PubChem CID118400018
Molecular FormulaC27H27F2N5O3
Molecular Weight507.54 g/mol
Exact Mass507.21
IUPAC Name3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCOCC4)cn3)cc21
InChIInChI=1S/C27H27F2N5O3/c1-2-34-23-15-25(30-16-18(23)14-20(27(34)35)26-21(28)4-3-5-22(26)29)32-24-7-6-19(17-31-24)37-13-10-33-8-11-36-12-9-33/h3-7,14-17H,2,8-13H2,1H3,(H,30,31,32)
InChIKeyBFNHAZCIZGUUCY-UHFFFAOYSA-N
XLogP4.21
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one (CID 118400018) is 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCOCC4)cn3)cc21.
What is the InChIKey of 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
The InChIKey is BFNHAZCIZGUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O3/c1-2-34-23-15-25(30-16-18(23)14-20(27(34)35)26-21(28)4-3-5-22(26)29)32-24-7-6-19(17-31-24)37-13-10-33-8-11-36-12-9-33/h3-7,14-17H,2,8-13H2,1H3,(H,30,31,32).
What are the key properties of 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one?
3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one has a molecular weight of 507.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-1-ethyl-7-[[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).