6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde

C26H23FN6O — CID 162683708

IUPAC6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde
SMILESCN(Cc1cccc2[nH]ncc12)/N=C\c1c(C=O)n(C)c2cc(Cc3cccc(F)n3)ccc12
InChIInChI=1S/C26H23FN6O/c1-32(15-18-5-3-7-23-21(18)13-28-31-23)29-14-22-20-10-9-17(11-19-6-4-8-26(27)30-19)12-24(20)33(2)25(22)16-34/h3-10,12-14,16H,11,15H2,1-2H3,(H,28,31)/b29-14-
InChIKeyVBZHDDBEIKUPDK-NUJZUDFISA-N
MW454.51 g/mol
LogP4.46
Rot. Bonds7

About 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde

6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde (PubChem CID 162683708) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde.

Molecular Properties

Compound Name6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde
PubChem CID162683708
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde
SMILESCN(Cc1cccc2[nH]ncc12)/N=C\c1c(C=O)n(C)c2cc(Cc3cccc(F)n3)ccc12
InChIInChI=1S/C26H23FN6O/c1-32(15-18-5-3-7-23-21(18)13-28-31-23)29-14-22-20-10-9-17(11-19-6-4-8-26(27)30-19)12-24(20)33(2)25(22)16-34/h3-10,12-14,16H,11,15H2,1-2H3,(H,28,31)/b29-14-
InChIKeyVBZHDDBEIKUPDK-NUJZUDFISA-N
XLogP4.46
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde?
The IUPAC name of 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde (CID 162683708) is 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde.
What is the SMILES notation for 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde?
The canonical SMILES for 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde is CN(Cc1cccc2[nH]ncc12)/N=C\c1c(C=O)n(C)c2cc(Cc3cccc(F)n3)ccc12.
What is the InChIKey of 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde?
The InChIKey is VBZHDDBEIKUPDK-NUJZUDFISA-N. The full InChI is InChI=1S/C26H23FN6O/c1-32(15-18-5-3-7-23-21(18)13-28-31-23)29-14-22-20-10-9-17(11-19-6-4-8-26(27)30-19)12-24(20)33(2)25(22)16-34/h3-10,12-14,16H,11,15H2,1-2H3,(H,28,31)/b29-14-.
What are the key properties of 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde?
6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde has a molecular weight of 454.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-2-pyridinyl)methyl]-3-[(Z)-[1H-indazol-4-ylmethyl(methyl)hydrazinylidene]methyl]-1-methylindole-2-carbaldehyde is sourced from PubChem (CID 162683708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).