6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine

C25H23FN6O — CID 90978764

IUPAC6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN5C=CCC5C4)nn23)ccn1
InChIInChI=1S/C25H23FN6O/c1-33-23-15-18(10-11-27-23)25-24(17-4-6-19(26)7-5-17)28-21-8-9-22(29-32(21)25)31-14-13-30-12-2-3-20(30)16-31/h2,4-12,15,20H,3,13-14,16H2,1H3
InChIKeyVXQQIUNLGANJPE-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.01
Rot. Bonds4

About 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine

6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 90978764) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID90978764
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN5C=CCC5C4)nn23)ccn1
InChIInChI=1S/C25H23FN6O/c1-33-23-15-18(10-11-27-23)25-24(17-4-6-19(26)7-5-17)28-21-8-9-22(29-32(21)25)31-14-13-30-12-2-3-20(30)16-31/h2,4-12,15,20H,3,13-14,16H2,1H3
InChIKeyVXQQIUNLGANJPE-UHFFFAOYSA-N
XLogP4.01
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine (CID 90978764) is 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine is COc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CCN5C=CCC5C4)nn23)ccn1.
What is the InChIKey of 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is VXQQIUNLGANJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-33-23-15-18(10-11-27-23)25-24(17-4-6-19(26)7-5-17)28-21-8-9-22(29-32(21)25)31-14-13-30-12-2-3-20(30)16-31/h2,4-12,15,20H,3,13-14,16H2,1H3.
What are the key properties of 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine?
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 442.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 90978764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).