6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine

C21H16F3N5 — CID 58335520

IUPAC6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1
InChIInChI=1S/C21H16F3N5/c22-13-6-7-15(23)14(11-13)17-4-2-10-28(17)21-9-8-20-25-12-18(29(20)27-21)16-3-1-5-19(24)26-16/h1,3,5-9,11-12,17H,2,4,10H2
InChIKeySHVFREWHFFNWMT-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.55
Rot. Bonds3

About 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 58335520) has the molecular formula C21H16F3N5 and a molecular weight of 395.39 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID58335520
Molecular FormulaC21H16F3N5
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1
InChIInChI=1S/C21H16F3N5/c22-13-6-7-15(23)14(11-13)17-4-2-10-28(17)21-9-8-20-25-12-18(29(20)27-21)16-3-1-5-19(24)26-16/h1,3,5-9,11-12,17H,2,4,10H2
InChIKeySHVFREWHFFNWMT-UHFFFAOYSA-N
XLogP4.55
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-amine
CID 58334496
4-[6-[(2S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]aniline
CID 89131016
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-fluorobenzonitrile
CID 44520777
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
1-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-1-iodourea
CID 87369260
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxamide
CID 58334520
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 44519369
1-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-phenylurea
CID 45273998
6-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
CID 58335803
N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
CID 76765252

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine (CID 58335520) is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine is Fc1ccc(F)c(C2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is SHVFREWHFFNWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5/c22-13-6-7-15(23)14(11-13)17-4-2-10-28(17)21-9-8-20-25-12-18(29(20)27-21)16-3-1-5-19(24)26-16/h1,3,5-9,11-12,17H,2,4,10H2.
What are the key properties of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 395.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).