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

C26H28N6O — CID 155512835

IUPAC3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
SMILESOc1cccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C26H28N6O/c33-22-5-3-4-20(18-22)25-26(19-8-12-27-13-9-19)32-23(28-25)6-7-24(29-32)31-16-10-21(11-17-31)30-14-1-2-15-30/h3-9,12-13,18,21,33H,1-2,10-11,14-17H2
InChIKeyKZLZCRFQZXSBPO-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.23
Rot. Bonds4

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

3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol (PubChem CID 155512835) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
PubChem CID155512835
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
SMILESOc1cccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C26H28N6O/c33-22-5-3-4-20(18-22)25-26(19-8-12-27-13-9-19)32-23(28-25)6-7-24(29-32)31-16-10-21(11-17-31)30-14-1-2-15-30/h3-9,12-13,18,21,33H,1-2,10-11,14-17H2
InChIKeyKZLZCRFQZXSBPO-UHFFFAOYSA-N
XLogP4.23
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The IUPAC name of 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol (CID 155512835) is 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol.
What is the SMILES notation for 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The canonical SMILES for 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol is Oc1cccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The InChIKey is KZLZCRFQZXSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-22-5-3-4-20(18-22)25-26(19-8-12-27-13-9-19)32-23(28-25)6-7-24(29-32)31-16-10-21(11-17-31)30-14-1-2-15-30/h3-9,12-13,18,21,33H,1-2,10-11,14-17H2.
What are the key properties of 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol has a molecular weight of 440.55 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol is sourced from PubChem (CID 155512835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).