(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

C20H23N3O3 — CID 47590308

IUPAC(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC1(C)COC1
InChIInChI=1S/C20H23N3O3/c1-13-15(8-9-18(24)26-12-20(3)10-25-11-20)14(2)23-19(21-13)16-6-4-5-7-17(16)22-23/h4-7H,8-12H2,1-3H3
InChIKeyZUEWSNMLAJHMHH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.01
Rot. Bonds5

About (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate (PubChem CID 47590308) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
PubChem CID47590308
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC1(C)COC1
InChIInChI=1S/C20H23N3O3/c1-13-15(8-9-18(24)26-12-20(3)10-25-11-20)14(2)23-19(21-13)16-6-4-5-7-17(16)22-23/h4-7H,8-12H2,1-3H3
InChIKeyZUEWSNMLAJHMHH-UHFFFAOYSA-N
XLogP3.01
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate (CID 47590308) is (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate?
The InChIKey is ZUEWSNMLAJHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-15(8-9-18(24)26-12-20(3)10-25-11-20)14(2)23-19(21-13)16-6-4-5-7-17(16)22-23/h4-7H,8-12H2,1-3H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate?
(3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate has a molecular weight of 353.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate is sourced from PubChem (CID 47590308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).