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

C21H20N4O2 — CID 3363731

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H20N4O2/c1-13-8-4-6-10-17(13)22-21(27)15(3)25-18-11-7-5-9-16(18)20-23-19(26)12-14(2)24(20)25/h4-12,15H,1-3H3,(H,22,27)
InChIKeyKRUNRZVTLKWLBB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide (PubChem CID 3363731) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide
PubChem CID3363731
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H20N4O2/c1-13-8-4-6-10-17(13)22-21(27)15(3)25-18-11-7-5-9-16(18)20-23-19(26)12-14(2)24(20)25/h4-12,15H,1-3H3,(H,22,27)
InChIKeyKRUNRZVTLKWLBB-UHFFFAOYSA-N
XLogP3.47
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.47
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-methylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide (CID 3363731) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is KRUNRZVTLKWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-8-4-6-10-17(13)22-21(27)15(3)25-18-11-7-5-9-16(18)20-23-19(26)12-14(2)24(20)25/h4-12,15H,1-3H3,(H,22,27).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 3.47, 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-methylphenyl)propanamide is sourced from PubChem (CID 3363731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).