4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C26H22N10O2 — CID 86345940

IUPAC4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C26H22N10O2/c1-2-4-20-17(3-1)6-8-23(30-20)38-16-19-15-36-22(18-5-7-21(27-13-18)24-31-33-34-32-24)14-28-25(26(36)29-19)35-9-11-37-12-10-35/h1-8,13-15H,9-12,16H2,(H,31,32,33,34)
InChIKeyLSGBGKGXKVWBTK-UHFFFAOYSA-N
MW506.53 g/mol
LogP2.94
Rot. Bonds6

About 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345940) has the molecular formula C26H22N10O2 and a molecular weight of 506.53 g/mol. Its IUPAC name is 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345940
Molecular FormulaC26H22N10O2
Molecular Weight506.53 g/mol
Exact Mass506.19
IUPAC Name4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C26H22N10O2/c1-2-4-20-17(3-1)6-8-23(30-20)38-16-19-15-36-22(18-5-7-21(27-13-18)24-31-33-34-32-24)14-28-25(26(36)29-19)35-9-11-37-12-10-35/h1-8,13-15H,9-12,16H2,(H,31,32,33,34)
InChIKeyLSGBGKGXKVWBTK-UHFFFAOYSA-N
XLogP2.94
TPSA132.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345940) is 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(OCc3cn4c(-c5ccc(-c6nn[nH]n6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is LSGBGKGXKVWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N10O2/c1-2-4-20-17(3-1)6-8-23(30-20)38-16-19-15-36-22(18-5-7-21(27-13-18)24-31-33-34-32-24)14-28-25(26(36)29-19)35-9-11-37-12-10-35/h1-8,13-15H,9-12,16H2,(H,31,32,33,34).
What are the key properties of 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 506.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(quinolin-2-yloxymethyl)-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).