7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one

C29H31F2N5O3 — CID 118400050

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cccc2F)c(=O)n3C2CCOC2)nc1
InChIInChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
InChIKeyMOUDWIWFCQEFAV-UHFFFAOYSA-N
MW535.60 g/mol
LogP5.16
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one (PubChem CID 118400050) has the molecular formula C29H31F2N5O3 and a molecular weight of 535.60 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
PubChem CID118400050
Molecular FormulaC29H31F2N5O3
Molecular Weight535.60 g/mol
Exact Mass535.24
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cccc2F)c(=O)n3C2CCOC2)nc1
InChIInChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34)
InChIKeyMOUDWIWFCQEFAV-UHFFFAOYSA-N
XLogP5.16
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one (CID 118400050) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(F)cccc2F)c(=O)n3C2CCOC2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
The InChIKey is MOUDWIWFCQEFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N5O3/c1-3-35(4-2)11-13-39-21-8-9-26(33-17-21)34-27-15-25-19(16-32-27)14-22(28-23(30)6-5-7-24(28)31)29(37)36(25)20-10-12-38-18-20/h5-9,14-17,20H,3-4,10-13,18H2,1-2H3,(H,32,33,34).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one has a molecular weight of 535.60 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-(oxolan-3-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).