N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide

C19H16N4O3S — CID 16885877

IUPACN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cccs4)c3)cn2n1
InChIInChI=1S/C19H16N4O3S/c1-25-15-6-5-12(10-13(15)21-19(24)16-4-3-9-27-16)14-11-23-17(20-14)7-8-18(22-23)26-2/h3-11H,1-2H3,(H,21,24)
InChIKeyYPOOXPGXMVFMQV-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.73
Rot. Bonds5

About N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide

N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 16885877) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID16885877
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cccs4)c3)cn2n1
InChIInChI=1S/C19H16N4O3S/c1-25-15-6-5-12(10-13(15)21-19(24)16-4-3-9-27-16)14-11-23-17(20-14)7-8-18(22-23)26-2/h3-11H,1-2H3,(H,21,24)
InChIKeyYPOOXPGXMVFMQV-UHFFFAOYSA-N
XLogP3.73
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide (CID 16885877) is N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide is COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cccs4)c3)cn2n1.
What is the InChIKey of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is YPOOXPGXMVFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-15-6-5-12(10-13(15)21-19(24)16-4-3-9-27-16)14-11-23-17(20-14)7-8-18(22-23)26-2/h3-11H,1-2H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 16885877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).