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

C26H25FN6O — CID 58335803

IUPAC6-[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
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CC6(COC6)C5)n4)n3n2)c1
InChIInChI=1S/C26H25FN6O/c27-19-5-1-4-18(12-19)21-7-3-11-32(21)25-10-9-23-28-13-22(33(23)30-25)20-6-2-8-24(29-20)31-14-26(15-31)16-34-17-26/h1-2,4-6,8-10,12-13,21H,3,7,11,14-17H2/t21-/m1/s1
InChIKeyLQFCWFFUWPFBTK-OAQYLSRUSA-N
MW456.53 g/mol
LogP4.11
Rot. Bonds4

About 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

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 (PubChem CID 58335803) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID58335803
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name6-[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
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CC6(COC6)C5)n4)n3n2)c1
InChIInChI=1S/C26H25FN6O/c27-19-5-1-4-18(12-19)21-7-3-11-32(21)25-10-9-23-28-13-22(33(23)30-25)20-6-2-8-24(29-20)31-14-26(15-31)16-34-17-26/h1-2,4-6,8-10,12-13,21H,3,7,11,14-17H2/t21-/m1/s1
InChIKeyLQFCWFFUWPFBTK-OAQYLSRUSA-N
XLogP4.11
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
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
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335467
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
(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
[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl] carbamate
CID 76765339
1-[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]ethane-1,2-diamine
CID 172684777
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886
N-[[1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]azetidin-3-yl]methyl]methanesulfonamide
CID 123432655
8-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 58335744

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CC6(COC6)C5)n4)n3n2)c1.
What is the InChIKey of 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?
The InChIKey is LQFCWFFUWPFBTK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H25FN6O/c27-19-5-1-4-18(12-19)21-7-3-11-32(21)25-10-9-23-28-13-22(33(23)30-25)20-6-2-8-24(29-20)31-14-26(15-31)16-34-17-26/h1-2,4-6,8-10,12-13,21H,3,7,11,14-17H2/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 456.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58335803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).