(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C34H29ClN4O3S — CID 98228410

IUPAC(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@H]1S[C@]2(C(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O
InChIInChI=1S/C34H29ClN4O3S/c1-22-32(40)39(25-13-14-27-26-9-2-5-12-30(26)42-31(27)20-25)34(43-22)28-10-3-4-11-29(28)38(33(34)41)21-36-15-17-37(18-16-36)24-8-6-7-23(35)19-24/h2-14,19-20,22H,15-18,21H2,1H3/t22-,34-/m1/s1
InChIKeyPBPPVMMAXYRAQU-GMWXTNTRSA-N
MW609.15 g/mol
LogP6.69
Rot. Bonds4

About (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 98228410) has the molecular formula C34H29ClN4O3S and a molecular weight of 609.15 g/mol. Its IUPAC name is (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID98228410
Molecular FormulaC34H29ClN4O3S
Molecular Weight609.15 g/mol
Exact Mass608.16
IUPAC Name(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@H]1S[C@]2(C(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O
InChIInChI=1S/C34H29ClN4O3S/c1-22-32(40)39(25-13-14-27-26-9-2-5-12-30(26)42-31(27)20-25)34(43-22)28-10-3-4-11-29(28)38(33(34)41)21-36-15-17-37(18-16-36)24-8-6-7-23(35)19-24/h2-14,19-20,22H,15-18,21H2,1H3/t22-,34-/m1/s1
InChIKeyPBPPVMMAXYRAQU-GMWXTNTRSA-N
XLogP6.69
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.15
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

(2S,5S)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228413
(2R,5R)-3-(3-chlorophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586572
(2R,5R)-3-(4-chlorophenyl)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 27235072
1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indole]-2'-one
CID 17138660
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 1201972
(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586568
(2R,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300748
(2S,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300750
ethyl 1-[[(2S,5R)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281808
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 4223491

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 98228410) is (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is C[C@H]1S[C@]2(C(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O.
What is the InChIKey of (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is PBPPVMMAXYRAQU-GMWXTNTRSA-N. The full InChI is InChI=1S/C34H29ClN4O3S/c1-22-32(40)39(25-13-14-27-26-9-2-5-12-30(26)42-31(27)20-25)34(43-22)28-10-3-4-11-29(28)38(33(34)41)21-36-15-17-37(18-16-36)24-8-6-7-23(35)19-24/h2-14,19-20,22H,15-18,21H2,1H3/t22-,34-/m1/s1.
What are the key properties of (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 609.15 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 98228410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).