1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C19H16FN7O2 — CID 71086678

IUPAC1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1cnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)cn1
InChIInChI=1S/C19H16FN7O2/c20-16-5-13(1-2-15(16)17-9-22-3-4-29-17)26-19(28)12-7-25-27(11-12)18-10-23-14(6-21)8-24-18/h1-2,5,7-8,10-11,17,22H,3-4,9H2,(H,26,28)/t17-/m1/s1
InChIKeyFARGHFZJUXXRLD-QGZVFWFLSA-N
MW393.38 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 71086678) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID71086678
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1cnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)cn1
InChIInChI=1S/C19H16FN7O2/c20-16-5-13(1-2-15(16)17-9-22-3-4-29-17)26-19(28)12-7-25-27(11-12)18-10-23-14(6-21)8-24-18/h1-2,5,7-8,10-11,17,22H,3-4,9H2,(H,26,28)/t17-/m1/s1
InChIKeyFARGHFZJUXXRLD-QGZVFWFLSA-N
XLogP1.59
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 71086678) is 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is N#Cc1cnc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is FARGHFZJUXXRLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16FN7O2/c20-16-5-13(1-2-15(16)17-9-22-3-4-29-17)26-19(28)12-7-25-27(11-12)18-10-23-14(6-21)8-24-18/h1-2,5,7-8,10-11,17,22H,3-4,9H2,(H,26,28)/t17-/m1/s1.
What are the key properties of 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71086678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).