methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate

C14H13N3O3 — CID 6618875

IUPACmethyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C14H13N3O3/c1-9-7-12(18)15-14-10-5-3-4-6-11(10)16(17(9)14)8-13(19)20-2/h3-7H,8H2,1-2H3
InChIKeyKFRIGOBBELDORW-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.13
Rot. Bonds2

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

methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate (PubChem CID 6618875) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate
PubChem CID6618875
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate
SMILESCOC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C14H13N3O3/c1-9-7-12(18)15-14-10-5-3-4-6-11(10)16(17(9)14)8-13(19)20-2/h3-7H,8H2,1-2H3
InChIKeyKFRIGOBBELDORW-UHFFFAOYSA-N
XLogP1.13
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-Methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
CID 22511465
2-[2-(Methoxymethyl)-3-oxo-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid
CID 155529294
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylacetamide
CID 3249106
N-benzyl-N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5072473
N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5087300
4-Methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimido[1,2-b]indazol-2-one
CID 6623234
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)acetamide
CID 3249108
2-{4-Methyl-2-oxo-2H,6H-pyrimido[1,2-B]indazol-6-YL}-N-(3-methylbutyl)acetamide
CID 3249112
N-(2-methoxyethyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3257813
N-(3-ethoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3433217

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate (CID 6618875) is methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate is COC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate?
The InChIKey is KFRIGOBBELDORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-7-12(18)15-14-10-5-3-4-6-11(10)16(17(9)14)8-13(19)20-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate?
methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate has a molecular weight of 271.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetate is sourced from PubChem (CID 6618875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).