(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid

C26H24N2O5S — CID 51717136

IUPAC(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(C(C)C)cc32)cc1
InChIInChI=1S/C26H24N2O5S/c1-13(2)15-7-10-18-17(11-15)26(25(32)28(18)3)12-19(29)27-21-20(22(24(30)31)34-23(21)26)14-5-8-16(33-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,27,29)(H,30,31)/t26-/m1/s1
InChIKeyUMBHGIOCPSECHG-AREMUKBSSA-N
MW476.55 g/mol
LogP4.85
Rot. Bonds4

About (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid

(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid (PubChem CID 51717136) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid.

Molecular Properties

Compound Name(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
PubChem CID51717136
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(C(C)C)cc32)cc1
InChIInChI=1S/C26H24N2O5S/c1-13(2)15-7-10-18-17(11-15)26(25(32)28(18)3)12-19(29)27-21-20(22(24(30)31)34-23(21)26)14-5-8-16(33-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,27,29)(H,30,31)/t26-/m1/s1
InChIKeyUMBHGIOCPSECHG-AREMUKBSSA-N
XLogP4.85
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1'-methyl-2',5-dioxo-3-phenyl-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 42653428
3-(4-chlorophenyl)-1'-methyl-2',5-dioxospiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 42655274
(3S)-5-chloro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
CID 39313555
6-fluoro-3'-(4-methoxyphenyl)-2,5'-dioxospiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
CID 45495219
3-(2-chlorophenyl)-5'-fluoro-1'-methyl-2',5-dioxospiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 45492103
1',7'-dimethyl-2',5-dioxo-3-phenylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 42653583
5'-chloro-2',5-dioxo-3-phenyl-1'-prop-2-enylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 45492708
(7S)-5'-chloro-2',5-dioxo-3-phenyl-1'-prop-2-enylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 51718752
(7S)-3-(4-methoxyphenyl)-7-(2-methylpropyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 52897561
5-chloro-2,5'-dioxo-3'-phenylspiro[1H-indole-3,7'-4,6-dihydrothieno[3,2-b]pyridine]-2'-carboxylic acid
CID 45494095
(7S)-3-(2-chlorophenyl)-1',7'-dimethyl-2',5-dioxospiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 51721416
7-(4-bromophenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 53047159

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid?
The IUPAC name of (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid (CID 51717136) is (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid.
What is the SMILES notation for (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid?
The canonical SMILES for (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@]32C(=O)N(C)c3ccc(C(C)C)cc32)cc1.
What is the InChIKey of (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid?
The InChIKey is UMBHGIOCPSECHG-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-13(2)15-7-10-18-17(11-15)26(25(32)28(18)3)12-19(29)27-21-20(22(24(30)31)34-23(21)26)14-5-8-16(33-4)9-6-14/h5-11,13H,12H2,1-4H3,(H,27,29)(H,30,31)/t26-/m1/s1.
What are the key properties of (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid?
(7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid has a molecular weight of 476.55 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(4-methoxyphenyl)-1'-methyl-2',5-dioxo-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid is sourced from PubChem (CID 51717136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).