6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid

C22H15FN2O5S — CID 45495219

IUPAC6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C22H15FN2O5S/c1-30-12-5-2-10(3-6-12)16-17-19(31-18(16)20(27)28)22(9-15(26)25-17)13-7-4-11(23)8-14(13)24-21(22)29/h2-8H,9H2,1H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyYCMVDTIQCLQRMH-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.84
Rot. Bonds3

About 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid

6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid (PubChem CID 45495219) has the molecular formula C22H15FN2O5S and a molecular weight of 438.44 g/mol. Its IUPAC name is 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
PubChem CID45495219
Molecular FormulaC22H15FN2O5S
Molecular Weight438.44 g/mol
Exact Mass438.07
IUPAC Name6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C22H15FN2O5S/c1-30-12-5-2-10(3-6-12)16-17-19(31-18(16)20(27)28)22(9-15(26)25-17)13-7-4-11(23)8-14(13)24-21(22)29/h2-8H,9H2,1H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyYCMVDTIQCLQRMH-UHFFFAOYSA-N
XLogP3.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid?
The IUPAC name of 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid (CID 45495219) is 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid.
What is the SMILES notation for 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid?
The canonical SMILES for 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid is COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)CC32C(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid?
The InChIKey is YCMVDTIQCLQRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O5S/c1-30-12-5-2-10(3-6-12)16-17-19(31-18(16)20(27)28)22(9-15(26)25-17)13-7-4-11(23)8-14(13)24-21(22)29/h2-8H,9H2,1H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid?
6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid has a molecular weight of 438.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid is sourced from PubChem (CID 45495219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).