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

C26H28N6 — CID 59406955

IUPAC2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H28N6/c1-2-6-20(7-3-1)25-26(21-10-14-27-15-11-21)32-23(28-25)8-9-24(29-32)31-18-12-22(13-19-31)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-19H2
InChIKeyABTLUZBURGFKOA-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.52
Rot. Bonds4

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

2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 59406955) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID59406955
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
SMILESc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H28N6/c1-2-6-20(7-3-1)25-26(21-10-14-27-15-11-21)32-23(28-25)8-9-24(29-32)31-18-12-22(13-19-31)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-19H2
InChIKeyABTLUZBURGFKOA-UHFFFAOYSA-N
XLogP4.52
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine (CID 59406955) is 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is c1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is ABTLUZBURGFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-2-6-20(7-3-1)25-26(21-10-14-27-15-11-21)32-23(28-25)8-9-24(29-32)31-18-12-22(13-19-31)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-19H2.
What are the key properties of 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine?
2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 424.55 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 59406955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).