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

C22H21F2N7 — CID 70981821

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccc(F)cc4F)nn23)C1
InChIInChI=1S/C22H21F2N7/c23-14-3-5-17(18(24)10-14)19-6-4-16-11-27-22(31(16)29-19)28-20-12-26-8-7-21(20)30-9-1-2-15(25)13-30/h3-8,10-12,15H,1-2,9,13,25H2,(H,27,28)/t15-/m0/s1
InChIKeyHODYSLLYOCDDRP-HNNXBMFYSA-N
MW421.46 g/mol
LogP3.74
Rot. Bonds4

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

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70981821) has the molecular formula C22H21F2N7 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70981821
Molecular FormulaC22H21F2N7
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESN[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccc(F)cc4F)nn23)C1
InChIInChI=1S/C22H21F2N7/c23-14-3-5-17(18(24)10-14)19-6-4-16-11-27-22(31(16)29-19)28-20-12-26-8-7-21(20)30-9-1-2-15(25)13-30/h3-8,10-12,15H,1-2,9,13,25H2,(H,27,28)/t15-/m0/s1
InChIKeyHODYSLLYOCDDRP-HNNXBMFYSA-N
XLogP3.74
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)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-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 70981821) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is N[C@H]1CCCN(c2ccncc2Nc2ncc3ccc(-c4ccc(F)cc4F)nn23)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is HODYSLLYOCDDRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21F2N7/c23-14-3-5-17(18(24)10-14)19-6-4-16-11-27-22(31(16)29-19)28-20-12-26-8-7-21(20)30-9-1-2-15(25)13-30/h3-8,10-12,15H,1-2,9,13,25H2,(H,27,28)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 421.46 g/mol, XLogP of 3.74, 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-(2,4-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70981821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).