6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]

C22H25N5O2 — CID 146038961

IUPAC6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESc1cnc(N2CCC3(CC2)OCCc2cc(OCCn4ccnc4)ccc23)cn1
InChIInChI=1S/C22H25N5O2/c1-2-20-18(15-19(1)28-14-12-26-11-8-24-17-26)3-13-29-22(20)4-9-27(10-5-22)21-16-23-6-7-25-21/h1-2,6-8,11,15-17H,3-5,9-10,12-14H2
InChIKeySNIIMKSENUSTFJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.82
Rot. Bonds5

About 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]

6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 146038961) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID146038961
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESc1cnc(N2CCC3(CC2)OCCc2cc(OCCn4ccnc4)ccc23)cn1
InChIInChI=1S/C22H25N5O2/c1-2-20-18(15-19(1)28-14-12-26-11-8-24-17-26)3-13-29-22(20)4-9-27(10-5-22)21-16-23-6-7-25-21/h1-2,6-8,11,15-17H,3-5,9-10,12-14H2
InChIKeySNIIMKSENUSTFJ-UHFFFAOYSA-N
XLogP2.82
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 146038961) is 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] is c1cnc(N2CCC3(CC2)OCCc2cc(OCCn4ccnc4)ccc23)cn1.
What is the InChIKey of 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is SNIIMKSENUSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-20-18(15-19(1)28-14-12-26-11-8-24-17-26)3-13-29-22(20)4-9-27(10-5-22)21-16-23-6-7-25-21/h1-2,6-8,11,15-17H,3-5,9-10,12-14H2.
What are the key properties of 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 391.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylethoxy)-1'-pyrazin-2-ylspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 146038961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).