2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C24H20FN7O3 — CID 71280475

IUPAC2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)nc12
InChIInChI=1S/C24H20FN7O3/c25-15-2-3-16-19(9-15)32(13-14-1-4-20(26-10-14)31-5-7-35-8-6-31)30-21(16)18-12-28-23-22(29-18)17(11-27-23)24(33)34/h1-4,9-12H,5-8,13H2,(H,27,28)(H,33,34)
InChIKeyFYFMTUOYSZZTSP-UHFFFAOYSA-N
MW473.47 g/mol
LogP3.09
Rot. Bonds5

About 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280475) has the molecular formula C24H20FN7O3 and a molecular weight of 473.47 g/mol. Its IUPAC name is 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280475
Molecular FormulaC24H20FN7O3
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC Name2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)nc12
InChIInChI=1S/C24H20FN7O3/c25-15-2-3-16-19(9-15)32(13-14-1-4-20(26-10-14)31-5-7-35-8-6-31)30-21(16)18-12-28-23-22(29-18)17(11-27-23)24(33)34/h1-4,9-12H,5-8,13H2,(H,27,28)(H,33,34)
InChIKeyFYFMTUOYSZZTSP-UHFFFAOYSA-N
XLogP3.09
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280475) is 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is FYFMTUOYSZZTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3/c25-15-2-3-16-19(9-15)32(13-14-1-4-20(26-10-14)31-5-7-35-8-6-31)30-21(16)18-12-28-23-22(29-18)17(11-27-23)24(33)34/h1-4,9-12H,5-8,13H2,(H,27,28)(H,33,34).
What are the key properties of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 473.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).