2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide

C24H26N4O2 — CID 22511510

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C24H26N4O2/c1-6-19(24(30)26-22-15(3)11-14(2)12-16(22)4)28-20-10-8-7-9-18(20)23-25-21(29)13-17(5)27(23)28/h7-13,19H,6H2,1-5H3,(H,26,30)
InChIKeyLWCQJORXQBAZGD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 22511510) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID22511510
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1c(C)cc(C)cc1C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C24H26N4O2/c1-6-19(24(30)26-22-15(3)11-14(2)12-16(22)4)28-20-10-8-7-9-18(20)23-25-21(29)13-17(5)27(23)28/h7-13,19H,6H2,1-5H3,(H,26,30)
InChIKeyLWCQJORXQBAZGD-UHFFFAOYSA-N
XLogP4.47
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide 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 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide (CID 22511510) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide is CCC(C(=O)Nc1c(C)cc(C)cc1C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is LWCQJORXQBAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-6-19(24(30)26-22-15(3)11-14(2)12-16(22)4)28-20-10-8-7-9-18(20)23-25-21(29)13-17(5)27(23)28/h7-13,19H,6H2,1-5H3,(H,26,30).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 402.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 22511510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).