tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

C19H23FN4O2 — CID 154080126

IUPACtert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc(-c3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)22-13-8-9-24(12-13)17-11-21-10-16(23-17)14-6-4-5-7-15(14)20/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,25)
InChIKeyLAGHXLFGFZIEJK-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.39
Rot. Bonds3

About tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 154080126) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID154080126
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Nametert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cncc(-c3ccccc3F)n2)C1
InChIInChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)22-13-8-9-24(12-13)17-11-21-10-16(23-17)14-6-4-5-7-15(14)20/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,25)
InChIKeyLAGHXLFGFZIEJK-UHFFFAOYSA-N
XLogP3.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]carbamate
CID 11949675
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
tert-butyl 5-amino-3-[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]indole-1-carboxylate
CID 67960143
tert-butyl N-[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129161455
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[(3S)-1-(2-amino-6-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 53255939
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
CID 159794239
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 154080126) is tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2cncc(-c3ccccc3F)n2)C1.
What is the InChIKey of tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is LAGHXLFGFZIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2,3)26-18(25)22-13-8-9-24(12-13)17-11-21-10-16(23-17)14-6-4-5-7-15(14)20/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 154080126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).