N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide

C22H28N4O3 — CID 126818451

IUPACN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide
SMILESCc1c(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cnn1C1CCOCC1
InChIInChI=1S/C22H28N4O3/c1-15-19(13-24-26(15)18-7-9-29-10-8-18)25-21(28)20(27)23-14-22(2)11-16-5-3-4-6-17(16)12-22/h3-6,13,18H,7-12,14H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyCQRBPUADVJSVBN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide

N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide (PubChem CID 126818451) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide
PubChem CID126818451
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide
SMILESCc1c(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cnn1C1CCOCC1
InChIInChI=1S/C22H28N4O3/c1-15-19(13-24-26(15)18-7-9-29-10-8-18)25-21(28)20(27)23-14-22(2)11-16-5-3-4-6-17(16)12-22/h3-6,13,18H,7-12,14H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyCQRBPUADVJSVBN-UHFFFAOYSA-N
XLogP2.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide 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-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide?
The IUPAC name of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide (CID 126818451) is N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide?
The canonical SMILES for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide is Cc1c(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cnn1C1CCOCC1.
What is the InChIKey of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide?
The InChIKey is CQRBPUADVJSVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-19(13-24-26(15)18-7-9-29-10-8-18)25-21(28)20(27)23-14-22(2)11-16-5-3-4-6-17(16)12-22/h3-6,13,18H,7-12,14H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide?
N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-N'-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]oxamide is sourced from PubChem (CID 126818451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).