(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C25H20N4OS — CID 90452922

IUPAC(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C25H20N4OS/c30-24-20(13-18-11-16-3-1-2-4-21(16)27-18)19-12-17(5-6-22(19)28-24)23-14-31-25(29-23)15-7-9-26-10-8-15/h5-14,27H,1-4H2,(H,28,30)/b20-13-
InChIKeyMEZRWKZLWCBCOP-MOSHPQCFSA-N
MW424.53 g/mol
LogP5.57
Rot. Bonds3

About (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 90452922) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID90452922
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC Name(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cc2c([nH]1)CCCC2
InChIInChI=1S/C25H20N4OS/c30-24-20(13-18-11-16-3-1-2-4-21(16)27-18)19-12-17(5-6-22(19)28-24)23-14-31-25(29-23)15-7-9-26-10-8-15/h5-14,27H,1-4H2,(H,28,30)/b20-13-
InChIKeyMEZRWKZLWCBCOP-MOSHPQCFSA-N
XLogP5.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 90452922) is (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1cc2c([nH]1)CCCC2.
What is the InChIKey of (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is MEZRWKZLWCBCOP-MOSHPQCFSA-N. The full InChI is InChI=1S/C25H20N4OS/c30-24-20(13-18-11-16-3-1-2-4-21(16)27-18)19-12-17(5-6-22(19)28-24)23-14-31-25(29-23)15-7-9-26-10-8-15/h5-14,27H,1-4H2,(H,28,30)/b20-13-.
What are the key properties of (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 424.53 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 90452922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).