3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide

C26H24FN5O4 — CID 142581010

IUPAC3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)cn3n2)c(F)c1C(=O)NCc1cccc2c1OCCC2
InChIInChI=1S/C26H24FN5O4/c1-15(33)29-21-14-32-22(30-21)11-9-19(31-32)18-8-10-20(35-2)23(24(18)27)26(34)28-13-17-6-3-5-16-7-4-12-36-25(16)17/h3,5-6,8-11,14H,4,7,12-13H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyPIJASVGZEIILLO-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.76
Rot. Bonds6

About 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide

3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide (PubChem CID 142581010) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide
PubChem CID142581010
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)cn3n2)c(F)c1C(=O)NCc1cccc2c1OCCC2
InChIInChI=1S/C26H24FN5O4/c1-15(33)29-21-14-32-22(30-21)11-9-19(31-32)18-8-10-20(35-2)23(24(18)27)26(34)28-13-17-6-3-5-16-7-4-12-36-25(16)17/h3,5-6,8-11,14H,4,7,12-13H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyPIJASVGZEIILLO-UHFFFAOYSA-N
XLogP3.76
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide (CID 142581010) is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide is COc1ccc(-c2ccc3nc(NC(C)=O)cn3n2)c(F)c1C(=O)NCc1cccc2c1OCCC2.
What is the InChIKey of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is PIJASVGZEIILLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-15(33)29-21-14-32-22(30-21)11-9-19(31-32)18-8-10-20(35-2)23(24(18)27)26(34)28-13-17-6-3-5-16-7-4-12-36-25(16)17/h3,5-6,8-11,14H,4,7,12-13H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide?
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 489.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-(3,4-dihydro-2H-chromen-8-ylmethyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 142581010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).