6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C22H21ClN6 — CID 71526443

IUPAC6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(Cl)c3)nn3ccnc23)n1
InChIInChI=1S/C22H21ClN6/c1-15-5-4-11-28(15)21-9-3-8-20(26-21)25-19-14-18(16-6-2-7-17(23)13-16)27-29-12-10-24-22(19)29/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyYABLVULUVFKKSF-HNNXBMFYSA-N
MW404.91 g/mol
LogP5.18
Rot. Bonds4

About 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71526443) has the molecular formula C22H21ClN6 and a molecular weight of 404.91 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71526443
Molecular FormulaC22H21ClN6
Molecular Weight404.91 g/mol
Exact Mass404.15
IUPAC Name6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(Cl)c3)nn3ccnc23)n1
InChIInChI=1S/C22H21ClN6/c1-15-5-4-11-28(15)21-9-3-8-20(26-21)25-19-14-18(16-6-2-7-17(23)13-16)27-29-12-10-24-22(19)29/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyYABLVULUVFKKSF-HNNXBMFYSA-N
XLogP5.18
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.91
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine 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 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71526443) is 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(Cl)c3)nn3ccnc23)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is YABLVULUVFKKSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21ClN6/c1-15-5-4-11-28(15)21-9-3-8-20(26-21)25-19-14-18(16-6-2-7-17(23)13-16)27-29-12-10-24-22(19)29/h2-3,6-10,12-15H,4-5,11H2,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 404.91 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71526443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).