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

C23H24N4O2 — CID 3453529

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)17(5)27-19-9-7-6-8-18(19)22-24-20(28)12-16(4)26(22)27/h6-12,17H,1-5H3,(H,25,29)
InChIKeyWFDUULHRRLLPER-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.08
Rot. Bonds3

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 3453529) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID3453529
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)17(5)27-19-9-7-6-8-18(19)22-24-20(28)12-16(4)26(22)27/h6-12,17H,1-5H3,(H,25,29)
InChIKeyWFDUULHRRLLPER-UHFFFAOYSA-N
XLogP4.08
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)propanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 3453529) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c(C)c1.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is WFDUULHRRLLPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-13-10-14(2)21(15(3)11-13)25-23(29)17(5)27-19-9-7-6-8-18(19)22-24-20(28)12-16(4)26(22)27/h6-12,17H,1-5H3,(H,25,29).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.08, 3 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)propanamide is sourced from PubChem (CID 3453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).