5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride

C25H34Cl2N4O2 — CID 54584184

IUPAC5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c1C.Cl
InChIInChI=1S/C25H33ClN4O2.ClH/c1-7-29(8-2)25(32)23-16(3)21(27-17(23)4)15-20-19-14-18(26)10-11-22(19)30(24(20)31)13-9-12-28(5)6;/h10-11,14-15,27H,7-9,12-13H2,1-6H3;1H/b20-15-;
InChIKeyBTFXKJYZZUUQBJ-CRDKNBMZSA-N
MW493.48 g/mol
LogP5.03
Rot. Bonds8

About 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride

5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 54584184) has the molecular formula C25H34Cl2N4O2 and a molecular weight of 493.48 g/mol. Its IUPAC name is 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID54584184
Molecular FormulaC25H34Cl2N4O2
Molecular Weight493.48 g/mol
Exact Mass492.21
IUPAC Name5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c1C.Cl
InChIInChI=1S/C25H33ClN4O2.ClH/c1-7-29(8-2)25(32)23-16(3)21(27-17(23)4)15-20-19-14-18(26)10-11-22(19)30(24(20)31)13-9-12-28(5)6;/h10-11,14-15,27H,7-9,12-13H2,1-6H3;1H/b20-15-;
InChIKeyBTFXKJYZZUUQBJ-CRDKNBMZSA-N
XLogP5.03
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 54584184) is 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1c(C)[nH]c(/C=C2\C(=O)N(CCCN(C)C)c3ccc(Cl)cc32)c1C.Cl.
What is the InChIKey of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is BTFXKJYZZUUQBJ-CRDKNBMZSA-N. The full InChI is InChI=1S/C25H33ClN4O2.ClH/c1-7-29(8-2)25(32)23-16(3)21(27-17(23)4)15-20-19-14-18(26)10-11-22(19)30(24(20)31)13-9-12-28(5)6;/h10-11,14-15,27H,7-9,12-13H2,1-6H3;1H/b20-15-;.
What are the key properties of 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride?
5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 493.48 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-chloro-1-[3-(dimethylamino)propyl]-2-oxoindol-3-ylidene]methyl]-N,N-diethyl-2,4-dimethyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 54584184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).