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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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).