N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C30H35N3O2 — CID 20907878

IUPACN-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C30H35N3O2/c1-30(29(35)31-25-17-9-4-10-18-25)22-32-26(24-15-7-3-8-16-24)19-20-27(32)28(34)33(30)21-11-14-23-12-5-2-6-13-23/h2-3,5-8,12-13,15-16,19-20,25H,4,9-11,14,17-18,21-22H2,1H3,(H,31,35)
InChIKeyKKKFXEKALLITMA-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.45
Rot. Bonds7

About N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907878) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID20907878
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C30H35N3O2/c1-30(29(35)31-25-17-9-4-10-18-25)22-32-26(24-15-7-3-8-16-24)19-20-27(32)28(34)33(30)21-11-14-23-12-5-2-6-13-23/h2-3,5-8,12-13,15-16,19-20,25H,4,9-11,14,17-18,21-22H2,1H3,(H,31,35)
InChIKeyKKKFXEKALLITMA-UHFFFAOYSA-N
XLogP5.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907878) is N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is KKKFXEKALLITMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-30(29(35)31-25-17-9-4-10-18-25)22-32-26(24-15-7-3-8-16-24)19-20-27(32)28(34)33(30)21-11-14-23-12-5-2-6-13-23/h2-3,5-8,12-13,15-16,19-20,25H,4,9-11,14,17-18,21-22H2,1H3,(H,31,35).
What are the key properties of N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).