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

C26H24FN7O — CID 171533555

IUPAC4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cccc2c(-c3cccc4nn(C)c(F)c34)nn(-c3ccc(N4CCN(C=O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O/c1-17-5-3-7-20-24(19-6-4-8-21-23(19)26(27)31(2)29-21)30-34(25(17)20)18-9-10-22(28-15-18)33-13-11-32(16-35)12-14-33/h3-10,15-16H,11-14H2,1-2H3
InChIKeyQFVYFFHPAWPJBB-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.70
Rot. Bonds4

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

4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 171533555) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
PubChem CID171533555
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cccc2c(-c3cccc4nn(C)c(F)c34)nn(-c3ccc(N4CCN(C=O)CC4)nc3)c12
InChIInChI=1S/C26H24FN7O/c1-17-5-3-7-20-24(19-6-4-8-21-23(19)26(27)31(2)29-21)30-34(25(17)20)18-9-10-22(28-15-18)33-13-11-32(16-35)12-14-33/h3-10,15-16H,11-14H2,1-2H3
InChIKeyQFVYFFHPAWPJBB-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-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde (CID 171533555) is 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde is Cc1cccc2c(-c3cccc4nn(C)c(F)c34)nn(-c3ccc(N4CCN(C=O)CC4)nc3)c12.
What is the InChIKey of 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is QFVYFFHPAWPJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-17-5-3-7-20-24(19-6-4-8-21-23(19)26(27)31(2)29-21)30-34(25(17)20)18-9-10-22(28-15-18)33-13-11-32(16-35)12-14-33/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde?
4-[5-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-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-[3-(3-fluoro-2-methylindazol-4-yl)-7-methylindazol-1-yl]-2-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 171533555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).