(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one

C25H29ClN4O3 — CID 18002300

IUPAC(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one
SMILESCC1CN(C(=O)/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc[nH]2)CC(C)C1N1CCOCC1
InChIInChI=1S/C25H29ClN4O3/c1-15-13-30(14-16(2)23(15)29-8-10-33-11-9-29)25(32)22(19-4-3-7-27-19)21-18-6-5-17(26)12-20(18)28-24(21)31/h3-7,12,15-16,23,27H,8-11,13-14H2,1-2H3,(H,28,31)/b22-21-
InChIKeyOLNLRDIGJNIZFQ-DQRAZIAOSA-N
MW468.99 g/mol
LogP3.35
Rot. Bonds3

About (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one (PubChem CID 18002300) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one
PubChem CID18002300
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one
SMILESCC1CN(C(=O)/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc[nH]2)CC(C)C1N1CCOCC1
InChIInChI=1S/C25H29ClN4O3/c1-15-13-30(14-16(2)23(15)29-8-10-33-11-9-29)25(32)22(19-4-3-7-27-19)21-18-6-5-17(26)12-20(18)28-24(21)31/h3-7,12,15-16,23,27H,8-11,13-14H2,1-2H3,(H,28,31)/b22-21-
InChIKeyOLNLRDIGJNIZFQ-DQRAZIAOSA-N
XLogP3.35
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one (CID 18002300) is (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one is CC1CN(C(=O)/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc[nH]2)CC(C)C1N1CCOCC1.
What is the InChIKey of (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one?
The InChIKey is OLNLRDIGJNIZFQ-DQRAZIAOSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-15-13-30(14-16(2)23(15)29-8-10-33-11-9-29)25(32)22(19-4-3-7-27-19)21-18-6-5-17(26)12-20(18)28-24(21)31/h3-7,12,15-16,23,27H,8-11,13-14H2,1-2H3,(H,28,31)/b22-21-.
What are the key properties of (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one has a molecular weight of 468.99 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[2-(3,5-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-2-oxo-1-(1H-pyrrol-2-yl)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 18002300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).