N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide

C32H22FN7O — CID 144654419

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C32H22FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h1-17,19-20H,18H2,(H,36,41)
InChIKeyHCAPSSBYZBQXCW-UHFFFAOYSA-N
MW539.57 g/mol
LogP6.09
Rot. Bonds6

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide (PubChem CID 144654419) has the molecular formula C32H22FN7O and a molecular weight of 539.57 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
PubChem CID144654419
Molecular FormulaC32H22FN7O
Molecular Weight539.57 g/mol
Exact Mass539.19
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C32H22FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h1-17,19-20H,18H2,(H,36,41)
InChIKeyHCAPSSBYZBQXCW-UHFFFAOYSA-N
XLogP6.09
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58945732
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10322057
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
Cyclopentanecarboxylic acid{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444867
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
2-(4-Fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
CID 68518789
US10513523, Example 74
CID 122655984
US10513523, Example 12
CID 122656023

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide (CID 144654419) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide is O=C(Cc1cccc(-c2cccnc2)c1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
The InChIKey is HCAPSSBYZBQXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN7O/c33-25-11-9-22(10-12-25)31-32(39-16-2-1-8-28(39)37-31)26-13-14-29-35-27(20-40(29)38-26)36-30(41)18-21-5-3-6-23(17-21)24-7-4-15-34-19-24/h1-17,19-20H,18H2,(H,36,41).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide has a molecular weight of 539.57 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(3-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 144654419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).