ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate

C19H15N3O3 — CID 56644869

IUPACethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(Oc3cnccn3)cc2n2ccccc12
InChIInChI=1S/C19H15N3O3/c1-2-24-19(23)18-14-7-6-13(25-17-12-20-8-9-21-17)11-16(14)22-10-4-3-5-15(18)22/h3-12H,2H2,1H3
InChIKeyWXIGMSOUDFWYHW-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.85
Rot. Bonds4

About ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate

ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 56644869) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate
PubChem CID56644869
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Nameethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(Oc3cnccn3)cc2n2ccccc12
InChIInChI=1S/C19H15N3O3/c1-2-24-19(23)18-14-7-6-13(25-17-12-20-8-9-21-17)11-16(14)22-10-4-3-5-15(18)22/h3-12H,2H2,1H3
InChIKeyWXIGMSOUDFWYHW-UHFFFAOYSA-N
XLogP3.85
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate (CID 56644869) is ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccc(Oc3cnccn3)cc2n2ccccc12.
What is the InChIKey of ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is WXIGMSOUDFWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-24-19(23)18-14-7-6-13(25-17-12-20-8-9-21-17)11-16(14)22-10-4-3-5-15(18)22/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate?
ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyrazin-2-yloxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 56644869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).