methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate

C19H21N3O3 — CID 11530184

IUPACmethyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc3c(c2)CC(N2CCCC2)C3)cn1
InChIInChI=1S/C19H21N3O3/c1-24-19(23)17-11-21-18(12-20-17)25-16-5-4-13-8-15(9-14(13)10-16)22-6-2-3-7-22/h4-5,10-12,15H,2-3,6-9H2,1H3
InChIKeyQKDXNRIYLXUWOJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.62
Rot. Bonds4

About methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate

methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate (PubChem CID 11530184) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate
PubChem CID11530184
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2ccc3c(c2)CC(N2CCCC2)C3)cn1
InChIInChI=1S/C19H21N3O3/c1-24-19(23)17-11-21-18(12-20-17)25-16-5-4-13-8-15(9-14(13)10-16)22-6-2-3-7-22/h4-5,10-12,15H,2-3,6-9H2,1H3
InChIKeyQKDXNRIYLXUWOJ-UHFFFAOYSA-N
XLogP2.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate (CID 11530184) is methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate is COC(=O)c1cnc(Oc2ccc3c(c2)CC(N2CCCC2)C3)cn1.
What is the InChIKey of methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate?
The InChIKey is QKDXNRIYLXUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-19(23)17-11-21-18(12-20-17)25-16-5-4-13-8-15(9-14(13)10-16)22-6-2-3-7-22/h4-5,10-12,15H,2-3,6-9H2,1H3.
What are the key properties of methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate?
methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyrazine-2-carboxylate is sourced from PubChem (CID 11530184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).