3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

About 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 58544045) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name	3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID	58544045
Molecular Formula	C25H30N4O5S
Molecular Weight	498.61 g/mol
Exact Mass	498.19
IUPAC Name	3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILES	Cc1c(/C=C2\C(=O)Nc3ccc(CS(C)(=O)=O)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2
InChI	InChI=1S/C25H30N4O5S/c1-16-22(14-19-18-13-17(15-35(2,32)33)3-4-20(18)27-24(19)30)26-21-5-6-29(25(31)23(16)21)8-7-28-9-11-34-12-10-28/h3-4,13-14,26H,5-12,15H2,1-2H3,(H,27,30)/b19-14-
InChIKey	MCRQXWKPXOVCSJ-RGEXLXHISA-N
XLogP	1.69
TPSA	111.81 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 58544045) is 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is Cc1c(/C=C2\C(=O)Nc3ccc(CS(C)(=O)=O)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CC2.

What is the InChIKey of 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is MCRQXWKPXOVCSJ-RGEXLXHISA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-16-22(14-19-18-13-17(15-35(2,32)33)3-4-20(18)27-24(19)30)26-21-5-6-29(25(31)23(16)21)8-7-28-9-11-34-12-10-28/h3-4,13-14,26H,5-12,15H2,1-2H3,(H,27,30)/b19-14-.

What are the key properties of 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 498.61 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 58544045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).