N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C25H31N7O2 — CID 25128655

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(Cc1cncnc1)CC2)C(C)(C)C
InChIInChI=1S/C25H31N7O2/c1-25(2,3)21(24(34)26-4)30-23(33)20-19-15-31(14-17-12-27-16-28-13-17)10-11-32(19)22(29-20)18-8-6-5-7-9-18/h5-9,12-13,16,21H,10-11,14-15H2,1-4H3,(H,26,34)(H,30,33)/t21-/m1/s1
InChIKeyBVERUOXQAGPFFV-OAQYLSRUSA-N
MW461.57 g/mol
LogP2.25
Rot. Bonds6

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25128655) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25128655
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(Cc1cncnc1)CC2)C(C)(C)C
InChIInChI=1S/C25H31N7O2/c1-25(2,3)21(24(34)26-4)30-23(33)20-19-15-31(14-17-12-27-16-28-13-17)10-11-32(19)22(29-20)18-8-6-5-7-9-18/h5-9,12-13,16,21H,10-11,14-15H2,1-4H3,(H,26,34)(H,30,33)/t21-/m1/s1
InChIKeyBVERUOXQAGPFFV-OAQYLSRUSA-N
XLogP2.25
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 25128655) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CN(Cc1cncnc1)CC2)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is BVERUOXQAGPFFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-25(2,3)21(24(34)26-4)30-23(33)20-19-15-31(14-17-12-27-16-28-13-17)10-11-32(19)22(29-20)18-8-6-5-7-9-18/h5-9,12-13,16,21H,10-11,14-15H2,1-4H3,(H,26,34)(H,30,33)/t21-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25128655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).