5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide

C25H17Cl2N5O4 — CID 142153310

IUPAC5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1[nH]c(Cl)cc1C(=O)NCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C25H17Cl2N5O4/c26-13-4-1-3-12(7-13)15-5-2-6-18-22(15)17(24(35)31-18)9-19-16(10-20(27)30-19)23(34)28-11-14-8-21(33)32-25(36)29-14/h1-10,30H,11H2,(H,28,34)(H,31,35)(H2,29,32,33,36)/b17-9-
InChIKeySHYNTHRRTLYGPS-MFOYZWKCSA-N
MW522.35 g/mol
LogP3.79
Rot. Bonds5

About 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide

5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142153310) has the molecular formula C25H17Cl2N5O4 and a molecular weight of 522.35 g/mol. Its IUPAC name is 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID142153310
Molecular FormulaC25H17Cl2N5O4
Molecular Weight522.35 g/mol
Exact Mass521.07
IUPAC Name5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1[nH]c(Cl)cc1C(=O)NCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C25H17Cl2N5O4/c26-13-4-1-3-12(7-13)15-5-2-6-18-22(15)17(24(35)31-18)9-19-16(10-20(27)30-19)23(34)28-11-14-8-21(33)32-25(36)29-14/h1-10,30H,11H2,(H,28,34)(H,31,35)(H2,29,32,33,36)/b17-9-
InChIKeySHYNTHRRTLYGPS-MFOYZWKCSA-N
XLogP3.79
TPSA139.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.35
LogP ≤ 53.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide (CID 142153310) is 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide is O=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1[nH]c(Cl)cc1C(=O)NCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is SHYNTHRRTLYGPS-MFOYZWKCSA-N. The full InChI is InChI=1S/C25H17Cl2N5O4/c26-13-4-1-3-12(7-13)15-5-2-6-18-22(15)17(24(35)31-18)9-19-16(10-20(27)30-19)23(34)28-11-14-8-21(33)32-25(36)29-14/h1-10,30H,11H2,(H,28,34)(H,31,35)(H2,29,32,33,36)/b17-9-.
What are the key properties of 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide?
5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 522.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(Z)-[4-(3-chlorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142153310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).