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

C26H24FN7O — CID 171533503

IUPAC4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C=O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O/c1-17-12-18(27)13-21-25(20-4-3-5-23-22(20)15-31(2)29-23)30-34(26(17)21)19-6-7-24(28-14-19)33-10-8-32(16-35)9-11-33/h3-7,12-16H,8-11H2,1-2H3
InChIKeyOFPFRIJPSUPQPD-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.70
Rot. Bonds4

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

4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 171533503) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
PubChem CID171533503
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C=O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O/c1-17-12-18(27)13-21-25(20-4-3-5-23-22(20)15-31(2)29-23)30-34(26(17)21)19-6-7-24(28-14-19)33-10-8-32(16-35)9-11-33/h3-7,12-16H,8-11H2,1-2H3
InChIKeyOFPFRIJPSUPQPD-UHFFFAOYSA-N
XLogP3.70
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-carbaldehyde?
The IUPAC name of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde (CID 171533503) is 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde is Cc1cc(F)cc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CCN(C=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-carbaldehyde?
The InChIKey is OFPFRIJPSUPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-17-12-18(27)13-21-25(20-4-3-5-23-22(20)15-31(2)29-23)30-34(26(17)21)19-6-7-24(28-14-19)33-10-8-32(16-35)9-11-33/h3-7,12-16H,8-11H2,1-2H3.
What are the key properties of 4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
4-[5-[5-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 469.52 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 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-carbaldehyde is sourced from PubChem (CID 171533503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).