5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide

C19H19F4N5O2 — CID 126572228

IUPAC5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide
SMILESC[C@]1(F)CC(F)(F)[C@@](C)(c2cc(COc3cnc(C(N)=O)cn3)ccc2F)N=C1N
InChIInChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)25)11-5-10(3-4-12(11)20)8-30-14-7-26-13(6-27-14)15(24)29/h3-7H,8-9H2,1-2H3,(H2,24,29)(H2,25,28)/t17-,18+/m0/s1
InChIKeyQQQYSHKEGDONGC-ZWKOTPCHSA-N
MW425.39 g/mol
LogP2.63
Rot. Bonds5

About 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide

5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide (PubChem CID 126572228) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide
PubChem CID126572228
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC Name5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide
SMILESC[C@]1(F)CC(F)(F)[C@@](C)(c2cc(COc3cnc(C(N)=O)cn3)ccc2F)N=C1N
InChIInChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)25)11-5-10(3-4-12(11)20)8-30-14-7-26-13(6-27-14)15(24)29/h3-7H,8-9H2,1-2H3,(H2,24,29)(H2,25,28)/t17-,18+/m0/s1
InChIKeyQQQYSHKEGDONGC-ZWKOTPCHSA-N
XLogP2.63
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide (CID 126572228) is 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide is C[C@]1(F)CC(F)(F)[C@@](C)(c2cc(COc3cnc(C(N)=O)cn3)ccc2F)N=C1N.
What is the InChIKey of 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide?
The InChIKey is QQQYSHKEGDONGC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)25)11-5-10(3-4-12(11)20)8-30-14-7-26-13(6-27-14)15(24)29/h3-7H,8-9H2,1-2H3,(H2,24,29)(H2,25,28)/t17-,18+/m0/s1.
What are the key properties of 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide?
5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 126572228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).