4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid

C26H24FN7O2 — CID 171589992

IUPAC4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O2/c1-16-12-17(27)13-20-24(19-4-3-5-22-21(19)15-31(2)29-22)30-34(25(16)20)18-6-7-23(28-14-18)32-8-10-33(11-9-32)26(35)36/h3-7,12-15H,8-11H2,1-2H3,(H,35,36)
InChIKeyDAXKERRVOVFKFR-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.22
Rot. Bonds3

About 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 171589992) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID171589992
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O2/c1-16-12-17(27)13-20-24(19-4-3-5-22-21(19)15-31(2)29-22)30-34(25(16)20)18-6-7-23(28-14-18)32-8-10-33(11-9-32)26(35)36/h3-7,12-15H,8-11H2,1-2H3,(H,35,36)
InChIKeyDAXKERRVOVFKFR-UHFFFAOYSA-N
XLogP4.22
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid (CID 171589992) is 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid is Cc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C(=O)O)CC4)nc3)c12.
What is the InChIKey of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is DAXKERRVOVFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-16-12-17(27)13-20-24(19-4-3-5-22-21(19)15-31(2)29-22)30-34(25(16)20)18-6-7-23(28-14-18)32-8-10-33(11-9-32)26(35)36/h3-7,12-15H,8-11H2,1-2H3,(H,35,36).
What are the key properties of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 485.52 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 171589992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).