[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

C26H23N5O4S — CID 67967056

IUPAC[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1
InChIInChI=1S/C26H23N5O4S/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVLSYPOYPIQSCIO-UHFFFAOYSA-N
MW501.57 g/mol
LogP4.07
Rot. Bonds6

About [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 67967056) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID67967056
Molecular FormulaC26H23N5O4S
Molecular Weight501.57 g/mol
Exact Mass501.15
IUPAC Name[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1
InChIInChI=1S/C26H23N5O4S/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30/h2-9,14-15H,10-13,16H2,1H3
InChIKeyVLSYPOYPIQSCIO-UHFFFAOYSA-N
XLogP4.07
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (CID 67967056) is [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.
What is the InChIKey of [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VLSYPOYPIQSCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?
[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 501.57 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).