(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H26N4O2 — CID 124776997

IUPAC(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)N3C[C@@H]4CCCN4C[C@H]3C)ccc21
InChIInChI=1S/C19H26N4O2/c1-13-11-21-8-3-4-17(21)12-23(13)19(25)20-16-5-6-18-15(10-16)7-9-22(18)14(2)24/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3,(H,20,25)/t13-,17+/m1/s1
InChIKeyHHMFLCOZFYUTKW-DYVFJYSZSA-N
MW342.44 g/mol
LogP2.30
Rot. Bonds1

About (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 124776997) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID124776997
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)N3C[C@@H]4CCCN4C[C@H]3C)ccc21
InChIInChI=1S/C19H26N4O2/c1-13-11-21-8-3-4-17(21)12-23(13)19(25)20-16-5-6-18-15(10-16)7-9-22(18)14(2)24/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3,(H,20,25)/t13-,17+/m1/s1
InChIKeyHHMFLCOZFYUTKW-DYVFJYSZSA-N
XLogP2.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 124776997) is (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC(=O)N1CCc2cc(NC(=O)N3C[C@@H]4CCCN4C[C@H]3C)ccc21.
What is the InChIKey of (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HHMFLCOZFYUTKW-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-11-21-8-3-4-17(21)12-23(13)19(25)20-16-5-6-18-15(10-16)7-9-22(18)14(2)24/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3,(H,20,25)/t13-,17+/m1/s1.
What are the key properties of (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aS)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124776997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).