N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C23H18N6O4 — CID 135955431

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)[nH]c(=O)c1C
InChIInChI=1S/C23H18N6O4/c1-12-13(2)25-23(27-21(12)31)29-19(10-17(28-29)18-8-5-9-33-18)26-22(32)20(30)15-11-24-16-7-4-3-6-14(15)16/h3-11,24H,1-2H3,(H,26,32)(H,25,27,31)
InChIKeyHVRCLWPASHGWJC-UHFFFAOYSA-N
MW442.44 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 135955431) has the molecular formula C23H18N6O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID135955431
Molecular FormulaC23H18N6O4
Molecular Weight442.44 g/mol
Exact Mass442.14
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)[nH]c(=O)c1C
InChIInChI=1S/C23H18N6O4/c1-12-13(2)25-23(27-21(12)31)29-19(10-17(28-29)18-8-5-9-33-18)26-22(32)20(30)15-11-24-16-7-4-3-6-14(15)16/h3-11,24H,1-2H3,(H,26,32)(H,25,27,31)
InChIKeyHVRCLWPASHGWJC-UHFFFAOYSA-N
XLogP3.14
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 135955431) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)[nH]c(=O)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is HVRCLWPASHGWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O4/c1-12-13(2)25-23(27-21(12)31)29-19(10-17(28-29)18-8-5-9-33-18)26-22(32)20(30)15-11-24-16-7-4-3-6-14(15)16/h3-11,24H,1-2H3,(H,26,32)(H,25,27,31).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 442.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 135955431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).