7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one

C26H25FN2O3 — CID 56967711

IUPAC7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cn2)c2ccccc21
InChIInChI=1S/C26H25FN2O3/c1-4-31-19-11-12-21-23(13-19)32-25(2,3)16-26(21)20-7-5-6-8-22(20)29(24(26)30)15-18-10-9-17(27)14-28-18/h5-14H,4,15-16H2,1-3H3
InChIKeyGZMMXFAPSLPICH-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.01
Rot. Bonds4

About 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one

7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one (PubChem CID 56967711) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
PubChem CID56967711
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cn2)c2ccccc21
InChIInChI=1S/C26H25FN2O3/c1-4-31-19-11-12-21-23(13-19)32-25(2,3)16-26(21)20-7-5-6-8-22(20)29(24(26)30)15-18-10-9-17(27)14-28-18/h5-14H,4,15-16H2,1-3H3
InChIKeyGZMMXFAPSLPICH-UHFFFAOYSA-N
XLogP5.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one with MolForge

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Related Compounds

1'-{[3-(trifluoromethyl)pyridin-2-yl]methyl}-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-2'(1'H)-one
CID 51352119
US9260446, (II-S)
CID 51352120
5,6-difluoro-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352142
6-methoxy-1'-(pyridin-2-ylmethyl)-2H-spiro[benzofuran-3,3'-indolin]-2'-one
CID 59352158
6-(2-methoxyethoxy)-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352252
5,6-dimethyl-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352254
5-fluoro-6-methoxy-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352317
6-fluoro-5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 71577327
6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)pyridin-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
CID 59352188
6-methoxy-5-methyl-1'-(pyridin-2-ylmethyl)spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 59352764
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(pyrrolidin-1-ylcarbonyl)pyridine
CID 72854561
3-(3,5-Dimethoxyphenyl)-3-(1-ethylindol-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 45956627

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The IUPAC name of 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one (CID 56967711) is 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one.
What is the SMILES notation for 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The canonical SMILES for 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one is CCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2ccc(F)cn2)c2ccccc21.
What is the InChIKey of 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
The InChIKey is GZMMXFAPSLPICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-4-31-19-11-12-21-23(13-19)32-25(2,3)16-26(21)20-7-5-6-8-22(20)29(24(26)30)15-18-10-9-17(27)14-28-18/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one?
7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one has a molecular weight of 432.50 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1'-[(5-fluoro-2-pyridinyl)methyl]-2,2-dimethylspiro[3H-chromene-4,3'-indole]-2'-one is sourced from PubChem (CID 56967711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).