4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide

C23H23N7O3 — CID 71234097

IUPAC4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide
SMILESCC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccon3)cc2)c2c(N)nccn12
InChIInChI=1S/C23H23N7O3/c1-14(31)29-11-3-2-4-17(29)22-27-19(20-21(24)25-10-12-30(20)22)15-5-7-16(8-6-15)23(32)26-18-9-13-33-28-18/h5-10,12-13,17H,2-4,11H2,1H3,(H2,24,25)(H,26,28,32)/t17-/m0/s1
InChIKeyPTOZJCQQXSQOTQ-KRWDZBQOSA-N
MW445.48 g/mol
LogP3.29
Rot. Bonds4

About 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide

4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 71234097) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide
PubChem CID71234097
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide
SMILESCC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccon3)cc2)c2c(N)nccn12
InChIInChI=1S/C23H23N7O3/c1-14(31)29-11-3-2-4-17(29)22-27-19(20-21(24)25-10-12-30(20)22)15-5-7-16(8-6-15)23(32)26-18-9-13-33-28-18/h5-10,12-13,17H,2-4,11H2,1H3,(H2,24,25)(H,26,28,32)/t17-/m0/s1
InChIKeyPTOZJCQQXSQOTQ-KRWDZBQOSA-N
XLogP3.29
TPSA131.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71226663
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
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyano-2-pyridinyl)benzamide
CID 71225878
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
4-[8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethyl-2-pyridinyl)benzamide
CID 71226325
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-phenylbenzamide
CID 139304195
4-[8-amino-3-(1-prop-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 78131087
4-[8-amino-3-[(2S)-1-but-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 123914394
4-[8-amino-3-[(2S)-1-[(E)-but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71607919
4-[8-amino-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 78131293
4-[8-amino-3-[(2S)-1-(2-chloropyrimidine-4-carbonyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71607582
4-[8-amino-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propyl-2-pyridinyl)benzamide
CID 71607802

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide (CID 71234097) is 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide is CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccon3)cc2)c2c(N)nccn12.
What is the InChIKey of 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is PTOZJCQQXSQOTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-14(31)29-11-3-2-4-17(29)22-27-19(20-21(24)25-10-12-30(20)22)15-5-7-16(8-6-15)23(32)26-18-9-13-33-28-18/h5-10,12-13,17H,2-4,11H2,1H3,(H2,24,25)(H,26,28,32)/t17-/m0/s1.
What are the key properties of 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide?
4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S)-1-acetylpiperidin-2-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 71234097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).