(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide

C24H30F2N4O6 — CID 70880063

IUPAC(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide
SMILESCCOc1ccc(F)c(OC2CC(=O)N([C@@H](CC(C)C)C(=O)Nc3cnc([C@H](O)CO)cn3)C2)c1F
InChIInChI=1S/C24H30F2N4O6/c1-4-35-19-6-5-15(25)23(22(19)26)36-14-8-21(33)30(11-14)17(7-13(2)3)24(34)29-20-10-27-16(9-28-20)18(32)12-31/h5-6,9-10,13-14,17-18,31-32H,4,7-8,11-12H2,1-3H3,(H,28,29,34)/t14?,17-,18+/m0/s1
InChIKeyNUEUUJYZOHPMLI-CXRLMVSZSA-N
MW508.52 g/mol
LogP2.21
Rot. Bonds11

About (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide

(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide (PubChem CID 70880063) has the molecular formula C24H30F2N4O6 and a molecular weight of 508.52 g/mol. Its IUPAC name is (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide
PubChem CID70880063
Molecular FormulaC24H30F2N4O6
Molecular Weight508.52 g/mol
Exact Mass508.21
IUPAC Name(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide
SMILESCCOc1ccc(F)c(OC2CC(=O)N([C@@H](CC(C)C)C(=O)Nc3cnc([C@H](O)CO)cn3)C2)c1F
InChIInChI=1S/C24H30F2N4O6/c1-4-35-19-6-5-15(25)23(22(19)26)36-14-8-21(33)30(11-14)17(7-13(2)3)24(34)29-20-10-27-16(9-28-20)18(32)12-31/h5-6,9-10,13-14,17-18,31-32H,4,7-8,11-12H2,1-3H3,(H,28,29,34)/t14?,17-,18+/m0/s1
InChIKeyNUEUUJYZOHPMLI-CXRLMVSZSA-N
XLogP2.21
TPSA134.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.52
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide?
The IUPAC name of (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide (CID 70880063) is (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide is CCOc1ccc(F)c(OC2CC(=O)N([C@@H](CC(C)C)C(=O)Nc3cnc([C@H](O)CO)cn3)C2)c1F.
What is the InChIKey of (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide?
The InChIKey is NUEUUJYZOHPMLI-CXRLMVSZSA-N. The full InChI is InChI=1S/C24H30F2N4O6/c1-4-35-19-6-5-15(25)23(22(19)26)36-14-8-21(33)30(11-14)17(7-13(2)3)24(34)29-20-10-27-16(9-28-20)18(32)12-31/h5-6,9-10,13-14,17-18,31-32H,4,7-8,11-12H2,1-3H3,(H,28,29,34)/t14?,17-,18+/m0/s1.
What are the key properties of (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide?
(2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide has a molecular weight of 508.52 g/mol, XLogP of 2.21, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-2-oxopyrrolidin-1-yl]-4-methylpentanamide is sourced from PubChem (CID 70880063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).