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

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

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Launch Full Analysis

Related Compounds

3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
N-(5-aminooxan-3-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279494
N-tert-butyl-2-(1-(3,4-dihydroxybutyl)-6-fluoro-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279543
2-(6-fluoro-1-piperidin-4-yl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71280067
2-(6-fluoro-1-methylindazol-3-yl)-N-(4-methylpiperidin-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280143
2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (cis-3-hydroxy-cyclobutyl)-amide
CID 71285746
2-[3-(1-methyl-piperidin-4-yl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)amide
CID 71288434
N-[(3R,5S)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288807
N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288819
US10040779, Example 21
CID 76282529
US10040779, Example 27
CID 76282770

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).