1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide

C23H26N6O2 — CID 130316998

IUPAC1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2C(=O)N(C)c3nccnc3[C@H](C)[C@@H]2C)cn1Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-14-15(2)20(23(31)28(4)21-19(14)24-10-11-25-21)27-22(30)18-13-29(16(3)26-18)12-17-8-6-5-7-9-17/h5-11,13-15,20H,12H2,1-4H3,(H,27,30)/t14-,15+,20-/m1/s1
InChIKeyWVAAMIPUJUMBNF-QEEYODRMSA-N
MW418.50 g/mol
LogP2.54
Rot. Bonds4

About 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide

1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide (PubChem CID 130316998) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide
PubChem CID130316998
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2C(=O)N(C)c3nccnc3[C@H](C)[C@@H]2C)cn1Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-14-15(2)20(23(31)28(4)21-19(14)24-10-11-25-21)27-22(30)18-13-29(16(3)26-18)12-17-8-6-5-7-9-17/h5-11,13-15,20H,12H2,1-4H3,(H,27,30)/t14-,15+,20-/m1/s1
InChIKeyWVAAMIPUJUMBNF-QEEYODRMSA-N
XLogP2.54
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide?
The IUPAC name of 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide (CID 130316998) is 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2C(=O)N(C)c3nccnc3[C@H](C)[C@@H]2C)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide?
The InChIKey is WVAAMIPUJUMBNF-QEEYODRMSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-15(2)20(23(31)28(4)21-19(14)24-10-11-25-21)27-22(30)18-13-29(16(3)26-18)12-17-8-6-5-7-9-17/h5-11,13-15,20H,12H2,1-4H3,(H,27,30)/t14-,15+,20-/m1/s1.
What are the key properties of 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide?
1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-N-[(7S,8S,9R)-5,8,9-trimethyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]imidazole-4-carboxamide is sourced from PubChem (CID 130316998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).