N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide

C29H31N3O2 — CID 71219770

IUPACN-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn2c(-c3ccccc3)ccc2c(=O)n1CCCc1ccccc1
InChIInChI=1S/C29H31N3O2/c33-28(30-24-16-8-3-9-17-24)27-21-32-25(23-14-6-2-7-15-23)18-19-26(32)29(34)31(27)20-10-13-22-11-4-1-5-12-22/h1-2,4-7,11-12,14-15,18-19,21,24H,3,8-10,13,16-17,20H2,(H,30,33)
InChIKeyRWBNSTMWFASHKZ-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.46
Rot. Bonds7

About N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71219770) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID71219770
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cn2c(-c3ccccc3)ccc2c(=O)n1CCCc1ccccc1
InChIInChI=1S/C29H31N3O2/c33-28(30-24-16-8-3-9-17-24)27-21-32-25(23-14-6-2-7-15-23)18-19-26(32)29(34)31(27)20-10-13-22-11-4-1-5-12-22/h1-2,4-7,11-12,14-15,18-19,21,24H,3,8-10,13,16-17,20H2,(H,30,33)
InChIKeyRWBNSTMWFASHKZ-UHFFFAOYSA-N
XLogP5.46
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(4-ethylphenyl)methyl]-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172198
N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172246
3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
CID 84576643
6-(cycloheptylcarbamoyl)-4-oxo-5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 71220152
2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219893
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
(3R)-N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886636
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cycloheptyl-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680876
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71219770) is N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(NC1CCCCC1)c1cn2c(-c3ccccc3)ccc2c(=O)n1CCCc1ccccc1.
What is the InChIKey of N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is RWBNSTMWFASHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-28(30-24-16-8-3-9-17-24)27-21-32-25(23-14-6-2-7-15-23)18-19-26(32)29(34)31(27)20-10-13-22-11-4-1-5-12-22/h1-2,4-7,11-12,14-15,18-19,21,24H,3,8-10,13,16-17,20H2,(H,30,33).
What are the key properties of N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-oxo-6-phenyl-2-(3-phenylpropyl)pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71219770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).