[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

C17H17F2N3O — CID 154870599

IUPAC[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)N1CCC(c2ccc(F)c(F)c2)C1C
InChIInChI=1S/C17H17F2N3O/c1-10-16(21-7-6-20-10)17(23)22-8-5-13(11(22)2)12-3-4-14(18)15(19)9-12/h3-4,6-7,9,11,13H,5,8H2,1-2H3
InChIKeyLTTXRPUGCQBDPY-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.08
Rot. Bonds2

About [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone

[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (PubChem CID 154870599) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
PubChem CID154870599
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
SMILESCc1nccnc1C(=O)N1CCC(c2ccc(F)c(F)c2)C1C
InChIInChI=1S/C17H17F2N3O/c1-10-16(21-7-6-20-10)17(23)22-8-5-13(11(22)2)12-3-4-14(18)15(19)9-12/h3-4,6-7,9,11,13H,5,8H2,1-2H3
InChIKeyLTTXRPUGCQBDPY-UHFFFAOYSA-N
XLogP3.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone (CID 154870599) is [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is Cc1nccnc1C(=O)N1CCC(c2ccc(F)c(F)c2)C1C.
What is the InChIKey of [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
The InChIKey is LTTXRPUGCQBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-10-16(21-7-6-20-10)17(23)22-8-5-13(11(22)2)12-3-4-14(18)15(19)9-12/h3-4,6-7,9,11,13H,5,8H2,1-2H3.
What are the key properties of [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone?
[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone has a molecular weight of 317.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 154870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).