N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide

C16H12FN5O2 — CID 53318745

IUPACN-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1
InChIInChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)
InChIKeyQRZYIOBBNKOVAA-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.68
Rot. Bonds4

About N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide

N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 53318745) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID53318745
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC NameN-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1
InChIInChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23)
InChIKeyQRZYIOBBNKOVAA-UHFFFAOYSA-N
XLogP2.68
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dipyridodiazepinone deriv. 49
CID 463569
N-(6-(oxazol-2-yl)-5-(pyridin-4-yl)pyrazin-2-yl)cyclopropanecarboxamide
CID 16071780
n-[5-(3-Fluoropyridin-4-yl)-6-(1,3-oxazol-2-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53322692
N-[6-(1,3-oxazol-5-yl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53325341
N-(2-(oxazol-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880422
N-(2-(oxazol-5-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880470
1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589066
N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589552
3-amino-N-(1-(2,6-difluorophenyl) ethyl)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-(oxazol-2-yl) pyrazine-2-carb oxamide(isomer 1/(isomer 2)
CID 146380324
3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-(oxazol-2-yl) pyrazine-2-carboxamide
CID 146380367
3-amino-N-((6-amino-3-fluoropyridin-2-yl)methyl)-6-(1-methyl-6-oxo-1,6-di-hydropyridin-3-yl)-5-(oxazol-2-yl) pyrazine-2-carboxamide
CID 146386587
3-amino-N-(2,6-difluorobenzyl)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 155209184

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide (CID 53318745) is N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1.
What is the InChIKey of N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is QRZYIOBBNKOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2/c17-11-5-18-4-3-10(11)14-15(12-6-19-8-24-12)21-13(7-20-14)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,22,23).
What are the key properties of N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 325.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-4-pyridinyl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53318745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).