methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate

C16H18N2O5 — CID 122473023

IUPACmethyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate
SMILESCOCOc1cc(C)cn2nc3c(c12)C(=O)C(C(=O)OC)CC3
InChIInChI=1S/C16H18N2O5/c1-9-6-12(23-8-21-2)14-13-11(17-18(14)7-9)5-4-10(15(13)19)16(20)22-3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyZOBQCAKRUZCNKP-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.54
Rot. Bonds4

About methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate

methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate (PubChem CID 122473023) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate
PubChem CID122473023
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate
SMILESCOCOc1cc(C)cn2nc3c(c12)C(=O)C(C(=O)OC)CC3
InChIInChI=1S/C16H18N2O5/c1-9-6-12(23-8-21-2)14-13-11(17-18(14)7-9)5-4-10(15(13)19)16(20)22-3/h6-7,10H,4-5,8H2,1-3H3
InChIKeyZOBQCAKRUZCNKP-UHFFFAOYSA-N
XLogP1.54
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate?
The IUPAC name of methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate (CID 122473023) is methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate.
What is the SMILES notation for methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate?
The canonical SMILES for methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate is COCOc1cc(C)cn2nc3c(c12)C(=O)C(C(=O)OC)CC3.
What is the InChIKey of methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate?
The InChIKey is ZOBQCAKRUZCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9-6-12(23-8-21-2)14-13-11(17-18(14)7-9)5-4-10(15(13)19)16(20)22-3/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate?
methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(methoxymethoxy)-8-methyl-1-oxo-3,4-dihydro-2H-pyrido[1,2-b]indazole-2-carboxylate is sourced from PubChem (CID 122473023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).