7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C31H34F3N7O4 — CID 161287970

IUPAC7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCC1CN(C(=O)Cc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]c(=O)oc34)cnc21
InChIInChI=1S/C31H34F3N7O4/c1-3-20-16-41(17-21-13-22(15-37-27(20)21)44-25-5-6-35-29-28(25)45-30(43)38-29)26(42)12-19-11-23(31(32,33)34)24(36-14-19)18-40-9-7-39(4-2)8-10-40/h5-6,11,13-15,20H,3-4,7-10,12,16-18H2,1-2H3,(H,35,38,43)
InChIKeyVFYYWQCXPHPZTE-UHFFFAOYSA-N
MW625.65 g/mol
LogP4.33
Rot. Bonds8

About 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 161287970) has the molecular formula C31H34F3N7O4 and a molecular weight of 625.65 g/mol. Its IUPAC name is 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID161287970
Molecular FormulaC31H34F3N7O4
Molecular Weight625.65 g/mol
Exact Mass625.26
IUPAC Name7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCC1CN(C(=O)Cc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]c(=O)oc34)cnc21
InChIInChI=1S/C31H34F3N7O4/c1-3-20-16-41(17-21-13-22(15-37-27(20)21)44-25-5-6-35-29-28(25)45-30(43)38-29)26(42)12-19-11-23(31(32,33)34)24(36-14-19)18-40-9-7-39(4-2)8-10-40/h5-6,11,13-15,20H,3-4,7-10,12,16-18H2,1-2H3,(H,35,38,43)
InChIKeyVFYYWQCXPHPZTE-UHFFFAOYSA-N
XLogP4.33
TPSA120.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.65
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

(8R)-3-[(2-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-N-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178388
1-[4-[[(8S)-8-ethyl-6-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]propan-1-one
CID 158831898
1-[(8R)-3-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 159534557
1-[(8S)-3-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 159217748
4-[[(8R)-8-ethyl-6-[2-[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
CID 161325988
(8S)-8-ethyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178100
8-ethyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(oxolan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178063
1-[(8S)-8-methyl-3-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 161265199
1-[(8S)-3-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158090965
(8S)-3-[(2-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-8-ethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178077
1-[3-[(2-amino-5-fluoro-4-pyridinyl)oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 159771997
(8S)-N-[4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[[2-(dimethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-ethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 146178292

Frequently Asked Questions

What is the IUPAC name of 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 161287970) is 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is CCC1CN(C(=O)Cc2cnc(CN3CCN(CC)CC3)c(C(F)(F)F)c2)Cc2cc(Oc3ccnc4[nH]c(=O)oc34)cnc21.
What is the InChIKey of 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VFYYWQCXPHPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7O4/c1-3-20-16-41(17-21-13-22(15-37-27(20)21)44-25-5-6-35-29-28(25)45-30(43)38-29)26(42)12-19-11-23(31(32,33)34)24(36-14-19)18-40-9-7-39(4-2)8-10-40/h5-6,11,13-15,20H,3-4,7-10,12,16-18H2,1-2H3,(H,35,38,43).
What are the key properties of 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 625.65 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[8-ethyl-6-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-3-pyridinyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161287970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).