N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide

C21H18N4O2 — CID 126672943

IUPACN-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(27)23-18-8-6-16(7-9-18)19-10-11-21-22-12-20(25(21)24-19)17-4-2-15(13-26)3-5-17/h2-12,26H,13H2,1H3,(H,23,27)
InChIKeyHUUDFBUNWIHHMS-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.51
Rot. Bonds4

About N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide

N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide (PubChem CID 126672943) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
PubChem CID126672943
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(27)23-18-8-6-16(7-9-18)19-10-11-21-22-12-20(25(21)24-19)17-4-2-15(13-26)3-5-17/h2-12,26H,13H2,1H3,(H,23,27)
InChIKeyHUUDFBUNWIHHMS-UHFFFAOYSA-N
XLogP3.51
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide (CID 126672943) is N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc(-c4ccc(CO)cc4)n3n2)cc1.
What is the InChIKey of N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
The InChIKey is HUUDFBUNWIHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(27)23-18-8-6-16(7-9-18)19-10-11-21-22-12-20(25(21)24-19)17-4-2-15(13-26)3-5-17/h2-12,26H,13H2,1H3,(H,23,27).
What are the key properties of N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide?
N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]acetamide is sourced from PubChem (CID 126672943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).