[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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Related Compounds

(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(pyrazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 44433793
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)-4-phenylpyrrolidine-3-carboxamide
CID 44433796
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)pyrrolidine-3-carboxamide
CID 44433799
6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione
CID 695123
5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 4078603
5-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 8151555
N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide
CID 3245347
Indolin-1-yl(pyrazin-2-yl)methanone
CID 862116
(3S,3aS,6aR)-N-[1,2-dioxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]-2-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 44319832
3-[Benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
CID 46231507
3-[Benzyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231564
(3R)-3-amino-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70695075

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).