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

C22H22N4O2 — CID 5072473

IUPACN-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)N(C)Cc3ccccc3)n12
InChIInChI=1S/C22H22N4O2/c1-15-13-20(27)23-21-18-11-7-8-12-19(18)26(25(15)21)16(2)22(28)24(3)14-17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3
InChIKeyFMAKPZHBEXSJGY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.18
Rot. Bonds4

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

N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5072473) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5072473
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)N(C)Cc3ccccc3)n12
InChIInChI=1S/C22H22N4O2/c1-15-13-20(27)23-21-18-11-7-8-12-19(18)26(25(15)21)16(2)22(28)24(3)14-17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3
InChIKeyFMAKPZHBEXSJGY-UHFFFAOYSA-N
XLogP3.18
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide 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-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5072473) is N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)N(C)Cc3ccccc3)n12.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is FMAKPZHBEXSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-13-20(27)23-21-18-11-7-8-12-19(18)26(25(15)21)16(2)22(28)24(3)14-17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5072473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).