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

C21H24N4O2 — CID 3433218

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC3=CCCCC3)n12
InChIInChI=1S/C21H24N4O2/c1-15-13-19(26)23-21-17-9-5-6-10-18(17)24(25(15)21)14-20(27)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,22,27)
InChIKeyISNBADKEZPDURT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3433218) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3433218
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC3=CCCCC3)n12
InChIInChI=1S/C21H24N4O2/c1-15-13-19(26)23-21-17-9-5-6-10-18(17)24(25(15)21)14-20(27)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,22,27)
InChIKeyISNBADKEZPDURT-UHFFFAOYSA-N
XLogP2.96
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-6-methyl-4-oxo-pyrimido[1,2-b]indazole-2-carboxamide
CID 54729455
2-[4-Methyl-2-oxopyrimido[1,2-B]indazol-6(2H)-YL]-N-(3-morpholinopropyl)acetamide
CID 3249111
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N,N-dipropylacetamide
CID 4106305
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5075291
N-(2,5-difluorophenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083532
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 5083540
4-Methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
CID 22511465
2-{4-Methyl-2-oxo-2H,6H-pyrimido[1,2-B]indazol-6-YL}-N-[3-(morpholin-4-YL)propyl]butanamide
CID 22511505
2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[2-(4-morpholinyl)ethyl]butanamide
CID 22511532
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)propanamide
CID 3453492
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
CID 3709738
N-cyclohexyl-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-b]indazol-6-yl}acetamide
CID 5072344

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3433218) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC3=CCCCC3)n12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is ISNBADKEZPDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-13-19(26)23-21-17-9-5-6-10-18(17)24(25(15)21)14-20(27)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,22,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3433218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).