N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C29H35N3O4 — CID 46274237

IUPACN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C29H35N3O4/c1-20(2)36-23-13-11-21(12-14-23)18-32-27(33)25-16-15-24(26-10-7-17-35-26)31(25)19-29(32,3)28(34)30-22-8-5-4-6-9-22/h7,10-17,20,22H,4-6,8-9,18-19H2,1-3H3,(H,30,34)
InChIKeyJAHBRGYFXVZMHX-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.40
Rot. Bonds7

About N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274237) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274237
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C29H35N3O4/c1-20(2)36-23-13-11-21(12-14-23)18-32-27(33)25-16-15-24(26-10-7-17-35-26)31(25)19-29(32,3)28(34)30-22-8-5-4-6-9-22/h7,10-17,20,22H,4-6,8-9,18-19H2,1-3H3,(H,30,34)
InChIKeyJAHBRGYFXVZMHX-UHFFFAOYSA-N
XLogP5.40
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274237) is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC(C)Oc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is JAHBRGYFXVZMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-20(2)36-23-13-11-21(12-14-23)18-32-27(33)25-16-15-24(26-10-7-17-35-26)31(25)19-29(32,3)28(34)30-22-8-5-4-6-9-22/h7,10-17,20,22H,4-6,8-9,18-19H2,1-3H3,(H,30,34).
What are the key properties of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).