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

C27H22N10O — CID 86345941

IUPAC4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1cn2c(-c3ccc(-c4nn[nH]n4)nc3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N10O/c1-2-4-22-18(3-1)5-7-20(30-22)8-9-21-17-37-24(19-6-10-23(28-15-19)25-32-34-35-33-25)16-29-26(27(37)31-21)36-11-13-38-14-12-36/h1-10,15-17H,11-14H2,(H,32,33,34,35)/b9-8+
InChIKeyHOHCBZQXEHPGEB-CMDGGOBGSA-N
MW502.54 g/mol
LogP3.53
Rot. Bonds5

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

4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345941) has the molecular formula C27H22N10O and a molecular weight of 502.54 g/mol. Its IUPAC name is 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345941
Molecular FormulaC27H22N10O
Molecular Weight502.54 g/mol
Exact Mass502.20
IUPAC Name4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1cn2c(-c3ccc(-c4nn[nH]n4)nc3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N10O/c1-2-4-22-18(3-1)5-7-20(30-22)8-9-21-17-37-24(19-6-10-23(28-15-19)25-32-34-35-33-25)16-29-26(27(37)31-21)36-11-13-38-14-12-36/h1-10,15-17H,11-14H2,(H,32,33,34,35)/b9-8+
InChIKeyHOHCBZQXEHPGEB-CMDGGOBGSA-N
XLogP3.53
TPSA122.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345941) is 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=C/c1cn2c(-c3ccc(-c4nn[nH]n4)nc3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1.
What is the InChIKey of 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is HOHCBZQXEHPGEB-CMDGGOBGSA-N. The full InChI is InChI=1S/C27H22N10O/c1-2-4-22-18(3-1)5-7-20(30-22)8-9-21-17-37-24(19-6-10-23(28-15-19)25-32-34-35-33-25)16-29-26(27(37)31-21)36-11-13-38-14-12-36/h1-10,15-17H,11-14H2,(H,32,33,34,35)/b9-8+.
What are the key properties of 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 502.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-quinolin-2-ylethenyl]-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).