2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone

C19H14FN5O — CID 167567917

IUPAC2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone
SMILESO=C(Cc1ccc(Cc2cccc(F)c2)nn1)c1ccc2nccn2n1
InChIInChI=1S/C19H14FN5O/c20-14-3-1-2-13(10-14)11-15-4-5-16(23-22-15)12-18(26)17-6-7-19-21-8-9-25(19)24-17/h1-10H,11-12H2
InChIKeyFNFZCOZNANGIJP-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.67
Rot. Bonds5

About 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone

2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone (PubChem CID 167567917) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone.

Molecular Properties

Compound Name2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone
PubChem CID167567917
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone
SMILESO=C(Cc1ccc(Cc2cccc(F)c2)nn1)c1ccc2nccn2n1
InChIInChI=1S/C19H14FN5O/c20-14-3-1-2-13(10-14)11-15-4-5-16(23-22-15)12-18(26)17-6-7-19-21-8-9-25(19)24-17/h1-10H,11-12H2
InChIKeyFNFZCOZNANGIJP-UHFFFAOYSA-N
XLogP2.67
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazo[1,2-b]pyridazine-6-carbohydrazide
CID 169101293
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
1-[3-ethyl-5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrazole-3-carboxamide
CID 155600343
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
1-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2-(2-methylpyrimidin-4-yl)ethanone;methyl 5-[(3-fluorophenyl)methyl]pyridine-2-carboxylate;2-methylpyrimidin-4-amine
CID 167696692
4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 175706112
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091370
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
4-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 175689187
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone?
The IUPAC name of 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone (CID 167567917) is 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone.
What is the SMILES notation for 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone?
The canonical SMILES for 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone is O=C(Cc1ccc(Cc2cccc(F)c2)nn1)c1ccc2nccn2n1.
What is the InChIKey of 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone?
The InChIKey is FNFZCOZNANGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-14-3-1-2-13(10-14)11-15-4-5-16(23-22-15)12-18(26)17-6-7-19-21-8-9-25(19)24-17/h1-10H,11-12H2.
What are the key properties of 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone?
2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone has a molecular weight of 347.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-fluorophenyl)methyl]pyridazin-3-yl]-1-imidazo[1,2-b]pyridazin-6-ylethanone is sourced from PubChem (CID 167567917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).