5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine

C28H19F3N10 — CID 69149581

IUPAC5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
SMILESNc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1.Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1
InChIInChI=1S/C14H9F2N5.C14H10FN5/c15-9-5-19-6-10(16)12(9)14-13(21-11(17)7-20-14)8-2-1-3-18-4-8;15-11-7-18-5-3-10(11)14-13(20-12(16)8-19-14)9-2-1-4-17-6-9/h1-7H,(H2,17,21);1-8H,(H2,16,20)
InChIKeyVJPSEXDFRIPJNM-UHFFFAOYSA-N
MW552.52 g/mol
LogP4.78
Rot. Bonds4

About 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine

5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine (PubChem CID 69149581) has the molecular formula C28H19F3N10 and a molecular weight of 552.52 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
PubChem CID69149581
Molecular FormulaC28H19F3N10
Molecular Weight552.52 g/mol
Exact Mass552.17
IUPAC Name5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
SMILESNc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1.Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1
InChIInChI=1S/C14H9F2N5.C14H10FN5/c15-9-5-19-6-10(16)12(9)14-13(21-11(17)7-20-14)8-2-1-3-18-4-8;15-11-7-18-5-3-10(11)14-13(20-12(16)8-19-14)9-2-1-4-17-6-9/h1-7H,(H2,17,21);1-8H,(H2,16,20)
InChIKeyVJPSEXDFRIPJNM-UHFFFAOYSA-N
XLogP4.78
TPSA155.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine with MolForge

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Related Compounds

5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
CID 91242587
N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53321372
N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
5-fluoro-2,3-dipyridin-3-ylpyridine
CID 46316529
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
CID 104739316
5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
CID 122508259
N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 146548815
4-propan-2-yl-6-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 175158320
4-(3-fluoro-4-pyridinyl)phthalazin-1-amine
CID 104739186
N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 135975180
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2-pyridin-3-ylpyridine-3,4-diamine
CID 118914760

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine?
The IUPAC name of 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine (CID 69149581) is 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine is Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1.Nc1cnc(-c2ccncc2F)c(-c2cccnc2)n1.
What is the InChIKey of 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine?
The InChIKey is VJPSEXDFRIPJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5.C14H10FN5/c15-9-5-19-6-10(16)12(9)14-13(21-11(17)7-20-14)8-2-1-3-18-4-8;15-11-7-18-5-3-10(11)14-13(20-12(16)8-19-14)9-2-1-4-17-6-9/h1-7H,(H2,17,21);1-8H,(H2,16,20).
What are the key properties of 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine?
5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine has a molecular weight of 552.52 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine is sourced from PubChem (CID 69149581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).