6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C17H12ClFN6O — CID 164912407

IUPAC6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cn(-c2ccc3ncc(C(N)=O)n3n2)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H12ClFN6O/c1-9-8-24(17(22-9)10-2-3-12(19)11(18)6-10)15-5-4-14-21-7-13(16(20)26)25(14)23-15/h2-8H,1H3,(H2,20,26)
InChIKeyNCOLKUXMUXBQFP-UHFFFAOYSA-N
MW370.78 g/mol
LogP2.78
Rot. Bonds3

About 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 164912407) has the molecular formula C17H12ClFN6O and a molecular weight of 370.78 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID164912407
Molecular FormulaC17H12ClFN6O
Molecular Weight370.78 g/mol
Exact Mass370.07
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cn(-c2ccc3ncc(C(N)=O)n3n2)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H12ClFN6O/c1-9-8-24(17(22-9)10-2-3-12(19)11(18)6-10)15-5-4-14-21-7-13(16(20)26)25(14)23-15/h2-8H,1H3,(H2,20,26)
InChIKeyNCOLKUXMUXBQFP-UHFFFAOYSA-N
XLogP2.78
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146401628
6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane
CID 145149066
6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134202619
6-[(4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 66694368
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethanone
CID 13248805
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 86715530
6-[5-(3-chloro-4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-methylimidazo[1,2-b]pyridazine;formamide
CID 145148924
2-[[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79018417
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 82878332
6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941872
6-[2-(4-fluoro-2-pyridinyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122478550

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 164912407) is 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cn(-c2ccc3ncc(C(N)=O)n3n2)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NCOLKUXMUXBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O/c1-9-8-24(17(22-9)10-2-3-12(19)11(18)6-10)15-5-4-14-21-7-13(16(20)26)25(14)23-15/h2-8H,1H3,(H2,20,26).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 370.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-4-methylimidazol-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 164912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).