5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride

C19H22ClFN4O3 — CID 122529822

IUPAC5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C19H21FN4O3.ClH/c20-15-7-13(3-4-14(15)17-9-21-5-6-26-17)24-19(25)16-8-23-18(10-22-16)27-11-12-1-2-12;/h3-4,7-8,10,12,17,21H,1-2,5-6,9,11H2,(H,24,25);1H/t17-;/m1./s1
InChIKeyQWTQTUTUTXWGFT-UNTBIKODSA-N
MW408.86 g/mol
LogP2.74
Rot. Bonds6

About 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride

5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 122529822) has the molecular formula C19H22ClFN4O3 and a molecular weight of 408.86 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID122529822
Molecular FormulaC19H22ClFN4O3
Molecular Weight408.86 g/mol
Exact Mass408.14
IUPAC Name5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C19H21FN4O3.ClH/c20-15-7-13(3-4-14(15)17-9-21-5-6-26-17)24-19(25)16-8-23-18(10-22-16)27-11-12-1-2-12;/h3-4,7-8,10,12,17,21H,1-2,5-6,9,11H2,(H,24,25);1H/t17-;/m1./s1
InChIKeyQWTQTUTUTXWGFT-UNTBIKODSA-N
XLogP2.74
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride (CID 122529822) is 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(OCC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is QWTQTUTUTXWGFT-UNTBIKODSA-N. The full InChI is InChI=1S/C19H21FN4O3.ClH/c20-15-7-13(3-4-14(15)17-9-21-5-6-26-17)24-19(25)16-8-23-18(10-22-16)27-11-12-1-2-12;/h3-4,7-8,10,12,17,21H,1-2,5-6,9,11H2,(H,24,25);1H/t17-;/m1./s1.
What are the key properties of 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 408.86 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122529822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).