4-[8-amino-3-[(3R)-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

C31H32N8O4 — CID 71223078

IUPAC4-[8-amino-3-[(3R)-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
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)CN4CCOC4=O)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C31H32N8O4/c32-28-27-26(20-5-7-21(8-6-20)30(41)35-24-16-22(9-10-33-24)19-3-4-19)36-29(39(27)13-11-34-28)23-2-1-12-37(17-23)25(40)18-38-14-15-43-31(38)42/h5-11,13,16,19,23H,1-4,12,14-15,17-18H2,(H2,32,34)(H,33,35,41)/t23-/m1/s1
InChIKeySYRJZYXLLNMEGR-HSZRJFAPSA-N
MW580.65 g/mol
LogP3.66
Rot. Bonds7

About 4-[8-amino-3-[(3R)-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)-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 71223078) has the molecular formula C31H32N8O4 and a molecular weight of 580.65 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-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)-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 CID71223078
Molecular FormulaC31H32N8O4
Molecular Weight580.65 g/mol
Exact Mass580.25
IUPAC Name4-[8-amino-3-[(3R)-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
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)CN4CCOC4=O)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C31H32N8O4/c32-28-27-26(20-5-7-21(8-6-20)30(41)35-24-16-22(9-10-33-24)19-3-4-19)36-29(39(27)13-11-34-28)23-2-1-12-37(17-23)25(40)18-38-14-15-43-31(38)42/h5-11,13,16,19,23H,1-4,12,14-15,17-18H2,(H2,32,34)(H,33,35,41)/t23-/m1/s1
InChIKeySYRJZYXLLNMEGR-HSZRJFAPSA-N
XLogP3.66
TPSA148.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.65
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-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)-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 71223078) is 4-[8-amino-3-[(3R)-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)-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)-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 Nc1nccn2c([C@@H]3CCCN(C(=O)CN4CCOC4=O)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12.
What is the InChIKey of 4-[8-amino-3-[(3R)-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 SYRJZYXLLNMEGR-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H32N8O4/c32-28-27-26(20-5-7-21(8-6-20)30(41)35-24-16-22(9-10-33-24)19-3-4-19)36-29(39(27)13-11-34-28)23-2-1-12-37(17-23)25(40)18-38-14-15-43-31(38)42/h5-11,13,16,19,23H,1-4,12,14-15,17-18H2,(H2,32,34)(H,33,35,41)/t23-/m1/s1.
What are the key properties of 4-[8-amino-3-[(3R)-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)-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 580.65 g/mol, XLogP of 3.66, 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)-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 71223078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).