5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine

C17H13F4N5 — CID 91242587

IUPAC5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
SMILESC[C@@H](c1nc(-c2ccncc2F)c(-c2cccnc2)nc1N)C(F)(F)F
InChIInChI=1S/C17H13F4N5/c1-9(17(19,20)21)13-16(22)26-14(10-3-2-5-23-7-10)15(25-13)11-4-6-24-8-12(11)18/h2-9H,1H3,(H2,22,26)/t9-/m0/s1
InChIKeyXBMXUZXNEPGKMF-VIFPVBQESA-N
MW363.32 g/mol
LogP3.99
Rot. Bonds3

About 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine

5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine (PubChem CID 91242587) has the molecular formula C17H13F4N5 and a molecular weight of 363.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
PubChem CID91242587
Molecular FormulaC17H13F4N5
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC Name5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine
SMILESC[C@@H](c1nc(-c2ccncc2F)c(-c2cccnc2)nc1N)C(F)(F)F
InChIInChI=1S/C17H13F4N5/c1-9(17(19,20)21)13-16(22)26-14(10-3-2-5-23-7-10)15(25-13)11-4-6-24-8-12(11)18/h2-9H,1H3,(H2,22,26)/t9-/m0/s1
InChIKeyXBMXUZXNEPGKMF-VIFPVBQESA-N
XLogP3.99
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine (CID 91242587) is 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine is C[C@@H](c1nc(-c2ccncc2F)c(-c2cccnc2)nc1N)C(F)(F)F.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine?
The InChIKey is XBMXUZXNEPGKMF-VIFPVBQESA-N. The full InChI is InChI=1S/C17H13F4N5/c1-9(17(19,20)21)13-16(22)26-14(10-3-2-5-23-7-10)15(25-13)11-4-6-24-8-12(11)18/h2-9H,1H3,(H2,22,26)/t9-/m0/s1.
What are the key properties of 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine?
5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine has a molecular weight of 363.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-6-pyridin-3-yl-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazin-2-amine is sourced from PubChem (CID 91242587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).