2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol

C22H21N7O — CID 165040050

IUPAC2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1
InChIInChI=1S/C22H21N7O/c1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14/h4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3
InChIKeyXNTLBDDZDILHJV-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.25
Rot. Bonds3

About 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol

2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol (PubChem CID 165040050) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol
PubChem CID165040050
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1
InChIInChI=1S/C22H21N7O/c1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14/h4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3
InChIKeyXNTLBDDZDILHJV-UHFFFAOYSA-N
XLogP3.25
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol 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 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol?
The IUPAC name of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol (CID 165040050) is 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol is Cc1cn2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cnc2n1.
What is the InChIKey of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol?
The InChIKey is XNTLBDDZDILHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-13-10-28-12-16(9-24-22(28)25-13)15-7-19(30)21(23-8-15)18-4-5-20(27-26-18)29-11-14-2-3-17(29)6-14/h4-5,7-10,12,14,17,30H,2-3,6,11H2,1H3.
What are the key properties of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol?
2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol has a molecular weight of 399.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(2-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-3-ol is sourced from PubChem (CID 165040050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).