7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one

C28H35F2N5O3 — CID 72945051

IUPAC7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCCN1CCN(CCc2cc3c4c(cnc3[nH]2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C4(C)C)CC1
InChIInChI=1S/C28H35F2N5O3/c1-6-33-9-11-34(12-10-33)8-7-18-13-19-22-17(15-31-26(19)32-18)16-35(27(36)28(22,2)3)25-23(29)20(37-4)14-21(38-5)24(25)30/h13-15H,6-12,16H2,1-5H3,(H,31,32)
InChIKeyOJYRGEHFGLUXAX-UHFFFAOYSA-N
MW527.62 g/mol
LogP3.86
Rot. Bonds7

About 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one

7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one (PubChem CID 72945051) has the molecular formula C28H35F2N5O3 and a molecular weight of 527.62 g/mol. Its IUPAC name is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one.

Molecular Properties

Compound Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
PubChem CID72945051
Molecular FormulaC28H35F2N5O3
Molecular Weight527.62 g/mol
Exact Mass527.27
IUPAC Name7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
SMILESCCN1CCN(CCc2cc3c4c(cnc3[nH]2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C4(C)C)CC1
InChIInChI=1S/C28H35F2N5O3/c1-6-33-9-11-34(12-10-33)8-7-18-13-19-22-17(15-31-26(19)32-18)16-35(27(36)28(22,2)3)25-23(29)20(37-4)14-21(38-5)24(25)30/h13-15H,6-12,16H2,1-5H3,(H,31,32)
InChIKeyOJYRGEHFGLUXAX-UHFFFAOYSA-N
XLogP3.86
TPSA73.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The IUPAC name of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one (CID 72945051) is 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one.
What is the SMILES notation for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The canonical SMILES for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one is CCN1CCN(CCc2cc3c4c(cnc3[nH]2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C4(C)C)CC1.
What is the InChIKey of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
The InChIKey is OJYRGEHFGLUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O3/c1-6-33-9-11-34(12-10-33)8-7-18-13-19-22-17(15-31-26(19)32-18)16-35(27(36)28(22,2)3)25-23(29)20(37-4)14-21(38-5)24(25)30/h13-15H,6-12,16H2,1-5H3,(H,31,32).
What are the key properties of 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one?
7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one has a molecular weight of 527.62 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one is sourced from PubChem (CID 72945051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).