N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide

C18H14N4O2 — CID 90480126

IUPACN-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2cnc3cccnn23)c1
InChIInChI=1S/C18H14N4O2/c23-18(20-11-15-6-3-9-24-15)14-5-1-4-13(10-14)16-12-19-17-7-2-8-21-22(16)17/h1-10,12H,11H2,(H,20,23)
InChIKeyZTSHLKVEOQXAHK-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.92
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide

N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide (PubChem CID 90480126) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
PubChem CID90480126
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2cnc3cccnn23)c1
InChIInChI=1S/C18H14N4O2/c23-18(20-11-15-6-3-9-24-15)14-5-1-4-13(10-14)16-12-19-17-7-2-8-21-22(16)17/h1-10,12H,11H2,(H,20,23)
InChIKeyZTSHLKVEOQXAHK-UHFFFAOYSA-N
XLogP2.92
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 126473545
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 53150001
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
CID 66742714
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
CID 155917758
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
N-[[3-(methylcarbamoyl)phenyl]methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166325203
N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide (CID 90480126) is N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide is O=C(NCc1ccco1)c1cccc(-c2cnc3cccnn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
The InChIKey is ZTSHLKVEOQXAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(20-11-15-6-3-9-24-15)14-5-1-4-13(10-14)16-12-19-17-7-2-8-21-22(16)17/h1-10,12H,11H2,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide?
N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide has a molecular weight of 318.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide is sourced from PubChem (CID 90480126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).