7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H19ClN4O4S — CID 18867738

IUPAC7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C25H19ClN4O4S/c1-12(2)10-18-27-28-24(35-18)30-22(32)21-19(20(31)14-11-13(26)8-9-17(14)34-21)25(30)15-6-4-5-7-16(15)29(3)23(25)33/h4-9,11-12H,10H2,1-3H3
InChIKeyDOGCCQJTDHTCDW-UHFFFAOYSA-N
MW506.97 g/mol
LogP4.38
Rot. Bonds3

About 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867738) has the molecular formula C25H19ClN4O4S and a molecular weight of 506.97 g/mol. Its IUPAC name is 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867738
Molecular FormulaC25H19ClN4O4S
Molecular Weight506.97 g/mol
Exact Mass506.08
IUPAC Name7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C25H19ClN4O4S/c1-12(2)10-18-27-28-24(35-18)30-22(32)21-19(20(31)14-11-13(26)8-9-17(14)34-21)25(30)15-6-4-5-7-16(15)29(3)23(25)33/h4-9,11-12H,10H2,1-3H3
InChIKeyDOGCCQJTDHTCDW-UHFFFAOYSA-N
XLogP4.38
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.97
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione with MolForge

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Related Compounds

7-chloro-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867754
7-chloro-1'-methyl-2-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867760
7-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867786
7-chloro-1'-[(4-methylphenyl)methyl]-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867910
1'-benzyl-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869672
7-methyl-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868771
7-chloro-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867794
7-chloro-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867912
7-chloro-1'-ethyl-2-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867729
7-chloro-1'-[(4-chlorophenyl)methyl]-2-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868001
1'-[(4-chlorophenyl)methyl]-2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868988
2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-methyl-1'-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868898

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867738) is 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(C)c2ccccc23)s1.
What is the InChIKey of 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is DOGCCQJTDHTCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O4S/c1-12(2)10-18-27-28-24(35-18)30-22(32)21-19(20(31)14-11-13(26)8-9-17(14)34-21)25(30)15-6-4-5-7-16(15)29(3)23(25)33/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 506.97 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1'-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).