6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

C25H22FN7 — CID 58335886

IUPAC6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCc1cnc(-c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)[nH]1
InChIInChI=1S/C25H22FN7/c1-16-14-28-25(29-16)20-8-3-7-19(30-20)22-15-27-23-10-11-24(31-33(22)23)32-12-4-9-21(32)17-5-2-6-18(26)13-17/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,28,29)
InChIKeyFYIHOOVOGLFKSX-UHFFFAOYSA-N
MW439.50 g/mol
LogP4.97
Rot. Bonds4

About 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 58335886) has the molecular formula C25H22FN7 and a molecular weight of 439.50 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID58335886
Molecular FormulaC25H22FN7
Molecular Weight439.50 g/mol
Exact Mass439.19
IUPAC Name6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILESCc1cnc(-c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)[nH]1
InChIInChI=1S/C25H22FN7/c1-16-14-28-25(29-16)20-8-3-7-19(30-20)22-15-27-23-10-11-24(31-33(22)23)32-12-4-9-21(32)17-5-2-6-18(26)13-17/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,28,29)
InChIKeyFYIHOOVOGLFKSX-UHFFFAOYSA-N
XLogP4.97
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 44519369
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335467
6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
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
(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 67029040
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
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
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
CID 67029066
[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
6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 146410915

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 58335886) is 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is Cc1cnc(-c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)[nH]1.
What is the InChIKey of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is FYIHOOVOGLFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7/c1-16-14-28-25(29-16)20-8-3-7-19(30-20)22-15-27-23-10-11-24(31-33(22)23)32-12-4-9-21(32)17-5-2-6-18(26)13-17/h2-3,5-8,10-11,13-15,21H,4,9,12H2,1H3,(H,28,29).
What are the key properties of 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 439.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 58335886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).