N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine

C21H22N8 — CID 71007339

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccn4)nn23)C1
InChIInChI=1S/C21H22N8/c22-15-4-3-11-28(14-15)20-8-10-23-13-19(20)26-21-25-12-16-6-7-18(27-29(16)21)17-5-1-2-9-24-17/h1-2,5-10,12-13,15H,3-4,11,14,22H2,(H,25,26)/t15-/m0/s1
InChIKeyCYOKKWDBIRMVJG-HNNXBMFYSA-N
MW386.46 g/mol
LogP2.86
Rot. Bonds4

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine (PubChem CID 71007339) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine
PubChem CID71007339
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccn4)nn23)C1
InChIInChI=1S/C21H22N8/c22-15-4-3-11-28(14-15)20-8-10-23-13-19(20)26-21-25-12-16-6-7-18(27-29(16)21)17-5-1-2-9-24-17/h1-2,5-10,12-13,15H,3-4,11,14,22H2,(H,25,26)/t15-/m0/s1
InChIKeyCYOKKWDBIRMVJG-HNNXBMFYSA-N
XLogP2.86
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-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 N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine (CID 71007339) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccn4)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine?
The InChIKey is CYOKKWDBIRMVJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N8/c22-15-4-3-11-28(14-15)20-8-10-23-13-19(20)26-21-25-12-16-6-7-18(27-29(16)21)17-5-1-2-9-24-17/h1-2,5-10,12-13,15H,3-4,11,14,22H2,(H,25,26)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine has a molecular weight of 386.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-ylimidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 71007339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).