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

C27H22N10O — CID 86582611

IUPAC4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESC(=C/c1nc2c(N3CCOCC3)ccnn2c1-c1ccc(-c2nn[nH]n2)nc1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N10O/c1-2-4-21-18(3-1)5-7-20(30-21)8-10-22-25(19-6-9-23(28-17-19)26-32-34-35-33-26)37-27(31-22)24(11-12-29-37)36-13-15-38-16-14-36/h1-12,17H,13-16H2,(H,32,33,34,35)/b10-8+
InChIKeyDJIXRFFPHUQYSG-CSKARUKUSA-N
MW502.54 g/mol
LogP3.53
Rot. Bonds5

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

4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 86582611) 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]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID86582611
Molecular FormulaC27H22N10O
Molecular Weight502.54 g/mol
Exact Mass502.20
IUPAC Name4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESC(=C/c1nc2c(N3CCOCC3)ccnn2c1-c1ccc(-c2nn[nH]n2)nc1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N10O/c1-2-4-21-18(3-1)5-7-20(30-21)8-10-22-25(19-6-9-23(28-17-19)26-32-34-35-33-26)37-27(31-22)24(11-12-29-37)36-13-15-38-16-14-36/h1-12,17H,13-16H2,(H,32,33,34,35)/b10-8+
InChIKeyDJIXRFFPHUQYSG-CSKARUKUSA-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]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 86582611) is 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is C(=C/c1nc2c(N3CCOCC3)ccnn2c1-c1ccc(-c2nn[nH]n2)nc1)\c1ccc2ccccc2n1.
What is the InChIKey of 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is DJIXRFFPHUQYSG-CSKARUKUSA-N. The full InChI is InChI=1S/C27H22N10O/c1-2-4-21-18(3-1)5-7-20(30-21)8-10-22-25(19-6-9-23(28-17-19)26-32-34-35-33-26)37-27(31-22)24(11-12-29-37)36-13-15-38-16-14-36/h1-12,17H,13-16H2,(H,32,33,34,35)/b10-8+.
What are the key properties of 4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[2-[(E)-2-quinolin-2-ylethenyl]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-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]-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 86582611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).