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

C22H22FN7 — CID 70982089

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1
InChIInChI=1S/C22H22FN7/c23-18-6-2-1-5-17(18)19-8-7-16-12-26-22(30(16)28-19)27-20-13-25-10-9-21(20)29-11-3-4-15(24)14-29/h1-2,5-10,12-13,15H,3-4,11,14,24H2,(H,26,27)/t15-/m0/s1
InChIKeyKWQWZDJFPORDSD-HNNXBMFYSA-N
MW403.47 g/mol
LogP3.60
Rot. Bonds4

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

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70982089) has the molecular formula C22H22FN7 and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70982089
Molecular FormulaC22H22FN7
Molecular Weight403.47 g/mol
Exact Mass403.19
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1
InChIInChI=1S/C22H22FN7/c23-18-6-2-1-5-17(18)19-8-7-16-12-26-22(30(16)28-19)27-20-13-25-10-9-21(20)29-11-3-4-15(24)14-29/h1-2,5-10,12-13,15H,3-4,11,14,24H2,(H,26,27)/t15-/m0/s1
InChIKeyKWQWZDJFPORDSD-HNNXBMFYSA-N
XLogP3.60
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[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-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 70982089) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccccc4F)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is KWQWZDJFPORDSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN7/c23-18-6-2-1-5-17(18)19-8-7-16-12-26-22(30(16)28-19)27-20-13-25-10-9-21(20)29-11-3-4-15(24)14-29/h1-2,5-10,12-13,15H,3-4,11,14,24H2,(H,26,27)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 403.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70982089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).