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

C26H28N6O — CID 155536412

IUPAC4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H28N6O/c33-22-5-3-19(4-6-22)25-26(20-9-13-27-14-10-20)32-23(28-25)7-8-24(29-32)31-17-11-21(12-18-31)30-15-1-2-16-30/h3-10,13-14,21,33H,1-2,11-12,15-18H2
InChIKeyHCMPPZDSFCAMPR-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.23
Rot. Bonds4

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

4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol (PubChem CID 155536412) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
PubChem CID155536412
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C26H28N6O/c33-22-5-3-19(4-6-22)25-26(20-9-13-27-14-10-20)32-23(28-25)7-8-24(29-32)31-17-11-21(12-18-31)30-15-1-2-16-30/h3-10,13-14,21,33H,1-2,11-12,15-18H2
InChIKeyHCMPPZDSFCAMPR-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The IUPAC name of 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol (CID 155536412) is 4-[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 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The canonical SMILES for 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol is Oc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
The InChIKey is HCMPPZDSFCAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-22-5-3-19(4-6-22)25-26(20-9-13-27-14-10-20)32-23(28-25)7-8-24(29-32)31-17-11-21(12-18-31)30-15-1-2-16-30/h3-10,13-14,21,33H,1-2,11-12,15-18H2.
What are the key properties of 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol?
4-[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 4-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol is sourced from PubChem (CID 155536412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).