4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide

C22H22N8O — CID 71226584

IUPAC4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
SMILESNc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cccnn4)cc3)c12
InChIInChI=1S/C22H22N8O/c23-20-19-18(28-21(30(19)13-12-25-20)16-4-1-2-10-24-16)14-6-8-15(9-7-14)22(31)27-17-5-3-11-26-29-17/h3,5-9,11-13,16,24H,1-2,4,10H2,(H2,23,25)(H,27,29,31)
InChIKeyIPCMSHZKVUFOEG-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.84
Rot. Bonds4

About 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide

4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide (PubChem CID 71226584) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
PubChem CID71226584
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
SMILESNc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cccnn4)cc3)c12
InChIInChI=1S/C22H22N8O/c23-20-19-18(28-21(30(19)13-12-25-20)16-4-1-2-10-24-16)14-6-8-15(9-7-14)22(31)27-17-5-3-11-26-29-17/h3,5-9,11-13,16,24H,1-2,4,10H2,(H2,23,25)(H,27,29,31)
InChIKeyIPCMSHZKVUFOEG-UHFFFAOYSA-N
XLogP2.84
TPSA123.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
4-(8-amino-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186
4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridazin-3-ylbenzamide
CID 90186243
4-[8-amino-3-[(3R)-morpholin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71225955
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
CID 159366533
[2-[[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]-4-pyridinyl] but-2-ynoate
CID 146369455
4-[8-amino-3-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 139581779
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 166775231
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;(2,5-dioxopyrrolidin-1-yl) but-2-ynoate
CID 157361227
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;but-2-ynoic acid;deuterioethyne;1-hydroxypyrrolidine-2,5-dione
CID 159651881
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226663

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide?
The IUPAC name of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide (CID 71226584) is 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide is Nc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cccnn4)cc3)c12.
What is the InChIKey of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide?
The InChIKey is IPCMSHZKVUFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c23-20-19-18(28-21(30(19)13-12-25-20)16-4-1-2-10-24-16)14-6-8-15(9-7-14)22(31)27-17-5-3-11-26-29-17/h3,5-9,11-13,16,24H,1-2,4,10H2,(H2,23,25)(H,27,29,31).
What are the key properties of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide?
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide has a molecular weight of 414.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide is sourced from PubChem (CID 71226584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).