6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

C20H13Cl2N3O5 — CID 134469672

IUPAC6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C20H13Cl2N3O5/c1-8-15(26)14-16(30-8)18(28)25(10-6-12(22)17(27)24(2)7-10)20(14)11-4-3-9(21)5-13(11)23-19(20)29/h3-8H,1-2H3,(H,23,29)
InChIKeyMTBBZRHYJBMACB-UHFFFAOYSA-N
MW446.25 g/mol
LogP2.13
Rot. Bonds1

About 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 134469672) has the molecular formula C20H13Cl2N3O5 and a molecular weight of 446.25 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID134469672
Molecular FormulaC20H13Cl2N3O5
Molecular Weight446.25 g/mol
Exact Mass445.02
IUPAC Name6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C20H13Cl2N3O5/c1-8-15(26)14-16(30-8)18(28)25(10-6-12(22)17(27)24(2)7-10)20(14)11-4-3-9(21)5-13(11)23-19(20)29/h3-8H,1-2H3,(H,23,29)
InChIKeyMTBBZRHYJBMACB-UHFFFAOYSA-N
XLogP2.13
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The IUPAC name of 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 134469672) is 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.
What is the SMILES notation for 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The canonical SMILES for 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is CC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)c(=O)n(C)c1)C2=O.
What is the InChIKey of 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is MTBBZRHYJBMACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O5/c1-8-15(26)14-16(30-8)18(28)25(10-6-12(22)17(27)24(2)7-10)20(14)11-4-3-9(21)5-13(11)23-19(20)29/h3-8H,1-2H3,(H,23,29).
What are the key properties of 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 446.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 134469672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).