2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine

C26H27FN6 — CID 68518789

IUPAC2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H27FN6/c27-21-5-3-19(4-6-21)25-26(20-9-13-28-14-10-20)33-23(29-25)7-8-24(30-33)32-17-11-22(12-18-32)31-15-1-2-16-31/h3-10,13-14,22H,1-2,11-12,15-18H2
InChIKeyUHCVDGVAFYGKDF-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.66
Rot. Bonds4

About 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 68518789) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID68518789
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
SMILESFc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H27FN6/c27-21-5-3-19(4-6-21)25-26(20-9-13-28-14-10-20)33-23(29-25)7-8-24(30-33)32-17-11-22(12-18-32)31-15-1-2-16-31/h3-10,13-14,22H,1-2,11-12,15-18H2
InChIKeyUHCVDGVAFYGKDF-UHFFFAOYSA-N
XLogP4.66
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (CID 68518789) is 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is Fc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is UHCVDGVAFYGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6/c27-21-5-3-19(4-6-21)25-26(20-9-13-28-14-10-20)33-23(29-25)7-8-24(30-33)32-17-11-22(12-18-32)31-15-1-2-16-31/h3-10,13-14,22H,1-2,11-12,15-18H2.
What are the key properties of 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 442.54 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 68518789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).