5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide

C23H19N5O3S — CID 67953960

IUPAC5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3ncc(COc4ccnc5cc(OC)ccc45)n3n2)s1
InChIInChI=1S/C23H19N5O3S/c1-24-23(29)21-7-6-20(32-21)17-5-8-22-26-12-14(28(22)27-17)13-31-19-9-10-25-18-11-15(30-2)3-4-16(18)19/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyGLOWEPKLETVBKB-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.95
Rot. Bonds6

About 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide

5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide (PubChem CID 67953960) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide
PubChem CID67953960
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3ncc(COc4ccnc5cc(OC)ccc45)n3n2)s1
InChIInChI=1S/C23H19N5O3S/c1-24-23(29)21-7-6-20(32-21)17-5-8-22-26-12-14(28(22)27-17)13-31-19-9-10-25-18-11-15(30-2)3-4-16(18)19/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyGLOWEPKLETVBKB-UHFFFAOYSA-N
XLogP3.95
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide (CID 67953960) is 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(-c2ccc3ncc(COc4ccnc5cc(OC)ccc45)n3n2)s1.
What is the InChIKey of 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is GLOWEPKLETVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-24-23(29)21-7-6-20(32-21)17-5-8-22-26-12-14(28(22)27-17)13-31-19-9-10-25-18-11-15(30-2)3-4-16(18)19/h3-12H,13H2,1-2H3,(H,24,29).
What are the key properties of 5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide?
5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 67953960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).