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

C20H24N4O2 — CID 3257818

IUPACN-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCC(C)CC3)n12
InChIInChI=1S/C20H24N4O2/c1-13-7-9-15(10-8-13)21-19(26)12-23-17-6-4-3-5-16(17)20-22-18(25)11-14(2)24(20)23/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,26)
InChIKeySZWLISGHPRADNF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.65
Rot. Bonds3

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

N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3257818) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3257818
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCC(C)CC3)n12
InChIInChI=1S/C20H24N4O2/c1-13-7-9-15(10-8-13)21-19(26)12-23-17-6-4-3-5-16(17)20-22-18(25)11-14(2)24(20)23/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,26)
InChIKeySZWLISGHPRADNF-UHFFFAOYSA-N
XLogP2.65
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide 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-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3257818) is N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NC3CCC(C)CC3)n12.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is SZWLISGHPRADNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-7-9-15(10-8-13)21-19(26)12-23-17-6-4-3-5-16(17)20-22-18(25)11-14(2)24(20)23/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3257818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).