2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H18F4N6O2 — CID 71285580

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H18F4N6O2/c1-12(13-4-3-5-15(8-13)36-24(26,27)28)31-23(35)17-10-29-22-21(17)32-18(11-30-22)20-16-7-6-14(25)9-19(16)34(2)33-20/h3-12H,1-2H3,(H,29,30)(H,31,35)/t12-/m1/s1
InChIKeyRVPCFBKZIPLXIA-GFCCVEGCSA-N
MW498.44 g/mol
LogP5.04
Rot. Bonds5

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285580) has the molecular formula C24H18F4N6O2 and a molecular weight of 498.44 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285580
Molecular FormulaC24H18F4N6O2
Molecular Weight498.44 g/mol
Exact Mass498.14
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H18F4N6O2/c1-12(13-4-3-5-15(8-13)36-24(26,27)28)31-23(35)17-10-29-22-21(17)32-18(11-30-22)20-16-7-6-14(25)9-19(16)34(2)33-20/h3-12H,1-2H3,(H,29,30)(H,31,35)/t12-/m1/s1
InChIKeyRVPCFBKZIPLXIA-GFCCVEGCSA-N
XLogP5.04
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285580) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RVPCFBKZIPLXIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H18F4N6O2/c1-12(13-4-3-5-15(8-13)36-24(26,27)28)31-23(35)17-10-29-22-21(17)32-18(11-30-22)20-16-7-6-14(25)9-19(16)34(2)33-20/h3-12H,1-2H3,(H,29,30)(H,31,35)/t12-/m1/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 498.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).