2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide

C21H25F2N5O2 — CID 11407422

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(N2CCCC2)cn1
InChIInChI=1S/C21H25F2N5O2/c1-2-5-17(26-20(29)10-14-8-15(22)11-16(23)9-14)21(30)27-18-12-25-19(13-24-18)28-6-3-4-7-28/h8-9,11-13,17H,2-7,10H2,1H3,(H,26,29)(H,24,27,30)
InChIKeyGFAZQPITDNXLNU-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.82
Rot. Bonds8

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide (PubChem CID 11407422) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
PubChem CID11407422
Molecular FormulaC21H25F2N5O2
Molecular Weight417.46 g/mol
Exact Mass417.20
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(N2CCCC2)cn1
InChIInChI=1S/C21H25F2N5O2/c1-2-5-17(26-20(29)10-14-8-15(22)11-16(23)9-14)21(30)27-18-12-25-19(13-24-18)28-6-3-4-7-28/h8-9,11-13,17H,2-7,10H2,1H3,(H,26,29)(H,24,27,30)
InChIKeyGFAZQPITDNXLNU-UHFFFAOYSA-N
XLogP2.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide (CID 11407422) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(N2CCCC2)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide?
The InChIKey is GFAZQPITDNXLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c1-2-5-17(26-20(29)10-14-8-15(22)11-16(23)9-14)21(30)27-18-12-25-19(13-24-18)28-6-3-4-7-28/h8-9,11-13,17H,2-7,10H2,1H3,(H,26,29)(H,24,27,30).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide has a molecular weight of 417.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-pyrrolidin-1-ylpyrazin-2-yl)pentanamide is sourced from PubChem (CID 11407422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).