5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

About 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 59112050) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID	59112050
Molecular Formula	C25H31ClN4O4
Molecular Weight	487.00 g/mol
Exact Mass	486.20
IUPAC Name	5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NCC(O)CN1C[C@@H](C)O[C@@H](C)C1
InChI	InChI=1S/C25H31ClN4O4/c1-13-10-30(11-14(2)34-13)12-18(31)9-27-25(33)23-15(3)22(28-16(23)4)8-20-19-7-17(26)5-6-21(19)29-24(20)32/h5-8,13-14,18,28,31H,9-12H2,1-4H3,(H,27,33)(H,29,32)/b20-8-/t13-,14+,18?
InChIKey	VCAKDMCOUSKOMW-OBGORTAUSA-N
XLogP	2.98
TPSA	106.69 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.00
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 59112050) is 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)c1C(=O)NCC(O)CN1C[C@@H](C)O[C@@H](C)C1.

What is the InChIKey of 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is VCAKDMCOUSKOMW-OBGORTAUSA-N. The full InChI is InChI=1S/C25H31ClN4O4/c1-13-10-30(11-14(2)34-13)12-18(31)9-27-25(33)23-15(3)22(28-16(23)4)8-20-19-7-17(26)5-6-21(19)29-24(20)32/h5-8,13-14,18,28,31H,9-12H2,1-4H3,(H,27,33)(H,29,32)/b20-8-/t13-,14+,18?.

What are the key properties of 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59112050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).