N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C30H44N4O3 — CID 46260861

IUPACN-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CC(C)CN(CCCN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C30H44N4O3/c1-22-18-23(2)20-32(19-22)15-9-16-34-28(35)26-14-13-25(27-12-8-17-37-27)33(26)21-30(34,3)29(36)31-24-10-6-4-5-7-11-24/h8,12-14,17,22-24H,4-7,9-11,15-16,18-21H2,1-3H3,(H,31,36)
InChIKeyNOLXMBAQGGRIEN-UHFFFAOYSA-N
MW508.71 g/mol
LogP5.17
Rot. Bonds7

About N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46260861) has the molecular formula C30H44N4O3 and a molecular weight of 508.71 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46260861
Molecular FormulaC30H44N4O3
Molecular Weight508.71 g/mol
Exact Mass508.34
IUPAC NameN-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CC(C)CN(CCCN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C30H44N4O3/c1-22-18-23(2)20-32(19-22)15-9-16-34-28(35)26-14-13-25(27-12-8-17-37-27)33(26)21-30(34,3)29(36)31-24-10-6-4-5-7-11-24/h8,12-14,17,22-24H,4-7,9-11,15-16,18-21H2,1-3H3,(H,31,36)
InChIKeyNOLXMBAQGGRIEN-UHFFFAOYSA-N
XLogP5.17
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46260861) is N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1CC(C)CN(CCCN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NOLXMBAQGGRIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O3/c1-22-18-23(2)20-32(19-22)15-9-16-34-28(35)26-14-13-25(27-12-8-17-37-27)33(26)21-30(34,3)29(36)31-24-10-6-4-5-7-11-24/h8,12-14,17,22-24H,4-7,9-11,15-16,18-21H2,1-3H3,(H,31,36).
What are the key properties of N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46260861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).