N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

C18H22N4O3 — CID 3433217

IUPACN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCCOCCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C18H22N4O3/c1-3-25-10-6-9-19-17(24)12-21-15-8-5-4-7-14(15)18-20-16(23)11-13(2)22(18)21/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,19,24)
InChIKeyIMSVCGXLCLXLDI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.50
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide

N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3433217) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3433217
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCCOCCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C18H22N4O3/c1-3-25-10-6-9-19-17(24)12-21-15-8-5-4-7-14(15)18-20-16(23)11-13(2)22(18)21/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,19,24)
InChIKeyIMSVCGXLCLXLDI-UHFFFAOYSA-N
XLogP1.50
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)butanamide
CID 22511528
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3605338
benzyl-[3-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]-propan-2-ylazanium
CID 3605519
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 3612650
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 5068847
N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3257818
N-(furan-2-ylmethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5069008
butan-2-yl-cyclohexyl-[2-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]ethyl]azanium
CID 3612648
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5068853
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5083539
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylpyrimido[1,2-b]indazol-2-one
CID 3709734
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
CID 3453487

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3433217) is N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is CCOCCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is IMSVCGXLCLXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-10-6-9-19-17(24)12-21-15-8-5-4-7-14(15)18-20-16(23)11-13(2)22(18)21/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3,(H,19,24).
What are the key properties of N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is sourced from PubChem (CID 3433217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).