N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

C24H28N6O3 — CID 53247190

IUPACN-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC1CCCC1
InChIInChI=1S/C24H28N6O3/c1-24(2)13-25-22(32)18-10-14-8-9-15(11-17(14)30(18)24)21(31)28-19-12-29(3)20(27-19)23(33)26-16-6-4-5-7-16/h8-12,16H,4-7,13H2,1-3H3,(H,25,32)(H,26,33)(H,28,31)
InChIKeyVMJFJZPFKKPMJU-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (PubChem CID 53247190) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
PubChem CID53247190
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC1CCCC1
InChIInChI=1S/C24H28N6O3/c1-24(2)13-25-22(32)18-10-14-8-9-15(11-17(14)30(18)24)21(31)28-19-12-29(3)20(27-19)23(33)26-16-6-4-5-7-16/h8-12,16H,4-7,13H2,1-3H3,(H,25,32)(H,26,33)(H,28,31)
InChIKeyVMJFJZPFKKPMJU-UHFFFAOYSA-N
XLogP2.78
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (CID 53247190) is N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is Cn1cc(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is VMJFJZPFKKPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(2)13-25-22(32)18-10-14-8-9-15(11-17(14)30(18)24)21(31)28-19-12-29(3)20(27-19)23(33)26-16-6-4-5-7-16/h8-12,16H,4-7,13H2,1-3H3,(H,25,32)(H,26,33)(H,28,31).
What are the key properties of N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylcarbamoyl)-1-methylimidazol-4-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 53247190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).