5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C14H16FN5O2 — CID 120929185

IUPAC5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H16FN5O2/c15-10-5-12(14(21)19-1-3-22-4-2-19)20(9-10)13-8-17-11(6-16)7-18-13/h7-8,10,12H,1-5,9H2/t10-,12+/m1/s1
InChIKeyOMJITFWVCMDGAD-PWSUYJOCSA-N
MW305.31 g/mol
LogP0.12
Rot. Bonds2

About 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 120929185) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID120929185
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H16FN5O2/c15-10-5-12(14(21)19-1-3-22-4-2-19)20(9-10)13-8-17-11(6-16)7-18-13/h7-8,10,12H,1-5,9H2/t10-,12+/m1/s1
InChIKeyOMJITFWVCMDGAD-PWSUYJOCSA-N
XLogP0.12
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 120929185) is 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1.
What is the InChIKey of 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OMJITFWVCMDGAD-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-10-5-12(14(21)19-1-3-22-4-2-19)20(9-10)13-8-17-11(6-16)7-18-13/h7-8,10,12H,1-5,9H2/t10-,12+/m1/s1.
What are the key properties of 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 305.31 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 120929185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).