4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide

C23H22FN7O — CID 71226257

IUPAC4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
SMILESNc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c12
InChIInChI=1S/C23H22FN7O/c24-16-8-10-27-18(13-16)29-23(32)15-6-4-14(5-7-15)19-20-21(25)28-11-12-31(20)22(30-19)17-3-1-2-9-26-17/h4-8,10-13,17,26H,1-3,9H2,(H2,25,28)(H,27,29,32)
InChIKeyBSLXXVOVPBKKBM-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.58
Rot. Bonds4

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

4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide (PubChem CID 71226257) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
PubChem CID71226257
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
SMILESNc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c12
InChIInChI=1S/C23H22FN7O/c24-16-8-10-27-18(13-16)29-23(32)15-6-4-14(5-7-15)19-20-21(25)28-11-12-31(20)22(30-19)17-3-1-2-9-26-17/h4-8,10-13,17,26H,1-3,9H2,(H2,25,28)(H,27,29,32)
InChIKeyBSLXXVOVPBKKBM-UHFFFAOYSA-N
XLogP3.58
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-pyridazin-3-ylbenzamide
CID 71226584
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323
[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-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-fluoro-2-pyridinyl)benzamide
CID 71607624
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
CID 175080909
4-(8-amino-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
CID 175076082
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-[(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
4-[8-amino-3-[(1R,3R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71223028
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 123273568

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide (CID 71226257) is 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide is Nc1nccn2c(C3CCCCN3)nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c12.
What is the InChIKey of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
The InChIKey is BSLXXVOVPBKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c24-16-8-10-27-18(13-16)29-23(32)15-6-4-14(5-7-15)19-20-21(25)28-11-12-31(20)22(30-19)17-3-1-2-9-26-17/h4-8,10-13,17,26H,1-3,9H2,(H2,25,28)(H,27,29,32).
What are the key properties of 4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide?
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide has a molecular weight of 431.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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-(4-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 71226257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).