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

C27H24N10O — CID 86582766

IUPAC4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(-c4nn[nH]n4)nc3)ccc2c1
InChIInChI=1S/C27H24N10O/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/h1-7,9,11-12,17H,8,10,13-16H2,(H,32,33,34,35)
InChIKeyWVQKXUXFABBSMW-UHFFFAOYSA-N
MW504.56 g/mol
LogP3.14
Rot. Bonds6

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

4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 86582766) has the molecular formula C27H24N10O and a molecular weight of 504.56 g/mol. Its IUPAC name is 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID86582766
Molecular FormulaC27H24N10O
Molecular Weight504.56 g/mol
Exact Mass504.21
IUPAC Name4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(-c4nn[nH]n4)nc3)ccc2c1
InChIInChI=1S/C27H24N10O/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/h1-7,9,11-12,17H,8,10,13-16H2,(H,32,33,34,35)
InChIKeyWVQKXUXFABBSMW-UHFFFAOYSA-N
XLogP3.14
TPSA122.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.56
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 86582766) is 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is c1ccc2nc(CCc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(-c4nn[nH]n4)nc3)ccc2c1.
What is the InChIKey of 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is WVQKXUXFABBSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N10O/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/h1-7,9,11-12,17H,8,10,13-16H2,(H,32,33,34,35).
What are the key properties of 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 504.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-quinolin-2-ylethyl)-3-[6-(2H-tetrazol-5-yl)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 86582766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).