6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

C24H23N5O2 — CID 58335463

IUPAC6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESCc1ccc(C)c(C2CCCN2c2ccc3ncc(-c4cccc(C(=O)O)n4)n3n2)c1
InChIInChI=1S/C24H23N5O2/c1-15-8-9-16(2)17(13-15)20-7-4-12-28(20)23-11-10-22-25-14-21(29(22)27-23)18-5-3-6-19(26-18)24(30)31/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3,(H,30,31)
InChIKeyPAHFNGIFLPYKPF-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.45
Rot. Bonds4

About 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid

6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (PubChem CID 58335463) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
PubChem CID58335463
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
SMILESCc1ccc(C)c(C2CCCN2c2ccc3ncc(-c4cccc(C(=O)O)n4)n3n2)c1
InChIInChI=1S/C24H23N5O2/c1-15-8-9-16(2)17(13-15)20-7-4-12-28(20)23-11-10-22-25-14-21(29(22)27-23)18-5-3-6-19(26-18)24(30)31/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3,(H,30,31)
InChIKeyPAHFNGIFLPYKPF-UHFFFAOYSA-N
XLogP4.45
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
6-[(2S)-2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97069865
6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 146410915
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 58335520
[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]carbamic acid
CID 166784328
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58335841
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886
[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
CID 118158296
6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053185
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
N-ethyl-N-[(3R)-1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 58335771
tert-butyl N-[[[1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]amino]methyl]carbamate
CID 159917666

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid (CID 58335463) is 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is Cc1ccc(C)c(C2CCCN2c2ccc3ncc(-c4cccc(C(=O)O)n4)n3n2)c1.
What is the InChIKey of 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
The InChIKey is PAHFNGIFLPYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-8-9-16(2)17(13-15)20-7-4-12-28(20)23-11-10-22-25-14-21(29(22)27-23)18-5-3-6-19(26-18)24(30)31/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3,(H,30,31).
What are the key properties of 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid?
6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid has a molecular weight of 413.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).