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

C29H33N3O2 — CID 20907867

IUPACN-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C29H33N3O2/c1-29(28(34)30-24-16-8-9-17-24)21-31-25(23-14-6-3-7-15-23)18-19-26(31)27(33)32(29)20-10-13-22-11-4-2-5-12-22/h2-7,11-12,14-15,18-19,24H,8-10,13,16-17,20-21H2,1H3,(H,30,34)
InChIKeyCASKXDWALSPFKN-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.06
Rot. Bonds7

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

N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 20907867) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID20907867
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C29H33N3O2/c1-29(28(34)30-24-16-8-9-17-24)21-31-25(23-14-6-3-7-15-23)18-19-26(31)27(33)32(29)20-10-13-22-11-4-2-5-12-22/h2-7,11-12,14-15,18-19,24H,8-10,13,16-17,20-21H2,1H3,(H,30,34)
InChIKeyCASKXDWALSPFKN-UHFFFAOYSA-N
XLogP5.06
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 20907867) is N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is CASKXDWALSPFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-29(28(34)30-24-16-8-9-17-24)21-31-25(23-14-6-3-7-15-23)18-19-26(31)27(33)32(29)20-10-13-22-11-4-2-5-12-22/h2-7,11-12,14-15,18-19,24H,8-10,13,16-17,20-21H2,1H3,(H,30,34).
What are the key properties of N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-1-oxo-6-phenyl-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 20907867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).