2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine

C23H19N5O2 — CID 175960518

IUPAC2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine
SMILESCOCOc1cc2[nH]c(C)cc2cc1-c1ccc2nc(-c3cnccn3)ccc2n1
InChIInChI=1S/C23H19N5O2/c1-14-9-15-10-16(23(30-13-29-2)11-21(15)26-14)17-3-4-19-18(27-17)5-6-20(28-19)22-12-24-7-8-25-22/h3-12,26H,13H2,1-2H3
InChIKeyZMTDWZSUINNQSJ-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.53
Rot. Bonds5

About 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine

2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine (PubChem CID 175960518) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine.

Molecular Properties

Compound Name2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine
PubChem CID175960518
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine
SMILESCOCOc1cc2[nH]c(C)cc2cc1-c1ccc2nc(-c3cnccn3)ccc2n1
InChIInChI=1S/C23H19N5O2/c1-14-9-15-10-16(23(30-13-29-2)11-21(15)26-14)17-3-4-19-18(27-17)5-6-20(28-19)22-12-24-7-8-25-22/h3-12,26H,13H2,1-2H3
InChIKeyZMTDWZSUINNQSJ-UHFFFAOYSA-N
XLogP4.53
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine?
The IUPAC name of 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine (CID 175960518) is 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine.
What is the SMILES notation for 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine?
The canonical SMILES for 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine is COCOc1cc2[nH]c(C)cc2cc1-c1ccc2nc(-c3cnccn3)ccc2n1.
What is the InChIKey of 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine?
The InChIKey is ZMTDWZSUINNQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-9-15-10-16(23(30-13-29-2)11-21(15)26-14)17-3-4-19-18(27-17)5-6-20(28-19)22-12-24-7-8-25-22/h3-12,26H,13H2,1-2H3.
What are the key properties of 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine?
2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine has a molecular weight of 397.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-6-pyrazin-2-yl-1,5-naphthyridine is sourced from PubChem (CID 175960518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).