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

C24H29N7O2 — CID 66932322

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(c1cnccn1)CC2)C(C)(C)C
InChIInChI=1S/C24H29N7O2/c1-24(2,3)20(23(33)25-4)29-22(32)19-17-15-30(18-14-26-10-11-27-18)12-13-31(17)21(28-19)16-8-6-5-7-9-16/h5-11,14,20H,12-13,15H2,1-4H3,(H,25,33)(H,29,32)
InChIKeyJQKPOGHERQGFDQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.25
Rot. Bonds5

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

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66932322) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66932322
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(c1cnccn1)CC2)C(C)(C)C
InChIInChI=1S/C24H29N7O2/c1-24(2,3)20(23(33)25-4)29-22(32)19-17-15-30(18-14-26-10-11-27-18)12-13-31(17)21(28-19)16-8-6-5-7-9-16/h5-11,14,20H,12-13,15H2,1-4H3,(H,25,33)(H,29,32)
InChIKeyJQKPOGHERQGFDQ-UHFFFAOYSA-N
XLogP2.25
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-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-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66932322) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(c1cnccn1)CC2)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is JQKPOGHERQGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-24(2,3)20(23(33)25-4)29-22(32)19-17-15-30(18-14-26-10-11-27-18)12-13-31(17)21(28-19)16-8-6-5-7-9-16/h5-11,14,20H,12-13,15H2,1-4H3,(H,25,33)(H,29,32).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66932322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).