4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide

C32H34N8O4 — CID 71223117

IUPAC4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESC[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CN1C(=O)CN1CCOC1=O
InChIInChI=1S/C32H34N8O4/c1-19-2-3-24(17-40(19)26(41)18-38-14-15-44-32(38)43)30-37-27(28-29(33)35-12-13-39(28)30)21-6-8-22(9-7-21)31(42)36-25-16-23(10-11-34-25)20-4-5-20/h6-13,16,19-20,24H,2-5,14-15,17-18H2,1H3,(H2,33,35)(H,34,36,42)/t19-,24+/m0/s1
InChIKeyFRAPHDQDRKHANO-YADARESESA-N
MW594.68 g/mol
LogP4.05
Rot. Bonds7

About 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide

4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide (PubChem CID 71223117) has the molecular formula C32H34N8O4 and a molecular weight of 594.68 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
PubChem CID71223117
Molecular FormulaC32H34N8O4
Molecular Weight594.68 g/mol
Exact Mass594.27
IUPAC Name4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESC[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CN1C(=O)CN1CCOC1=O
InChIInChI=1S/C32H34N8O4/c1-19-2-3-24(17-40(19)26(41)18-38-14-15-44-32(38)43)30-37-27(28-29(33)35-12-13-39(28)30)21-6-8-22(9-7-21)31(42)36-25-16-23(10-11-34-25)20-4-5-20/h6-13,16,19-20,24H,2-5,14-15,17-18H2,1H3,(H2,33,35)(H,34,36,42)/t19-,24+/m0/s1
InChIKeyFRAPHDQDRKHANO-YADARESESA-N
XLogP4.05
TPSA148.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.68
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide with MolForge

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Related Compounds

CID 71226662
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CID 53468024
CID 53468024
CID 70116605
CID 70116605
CID 71225940
CID 71225940
CID 71226110
CID 71226110
CID 71226207
CID 71226207
CID 71226521
CID 71226521
CID 71226620
CID 71226620
CID 71226635
CID 71226635

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide (CID 71223117) is 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide is C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CN1C(=O)CN1CCOC1=O.
What is the InChIKey of 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?
The InChIKey is FRAPHDQDRKHANO-YADARESESA-N. The full InChI is InChI=1S/C32H34N8O4/c1-19-2-3-24(17-40(19)26(41)18-38-14-15-44-32(38)43)30-37-27(28-29(33)35-12-13-39(28)30)21-6-8-22(9-7-21)31(42)36-25-16-23(10-11-34-25)20-4-5-20/h6-13,16,19-20,24H,2-5,14-15,17-18H2,1H3,(H2,33,35)(H,34,36,42)/t19-,24+/m0/s1.
What are the key properties of 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide?
4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide has a molecular weight of 594.68 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(3R,6S)-6-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide is sourced from PubChem (CID 71223117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).