3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde

C27H23FN6O — CID 171533454

IUPAC3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
SMILESCc1c(F)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CC5C(C=O)C5C4)nc3)c12
InChIInChI=1S/C27H23FN6O/c1-15-23(28)8-7-18-26(17-4-3-5-24-21(17)11-32(2)30-24)31-34(27(15)18)16-6-9-25(29-10-16)33-12-19-20(13-33)22(19)14-35/h3-11,14,19-20,22H,12-13H2,1-2H3
InChIKeyJVJUGSRIISEULG-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.30
Rot. Bonds4

About 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde

3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde (PubChem CID 171533454) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde.

Molecular Properties

Compound Name3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
PubChem CID171533454
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC Name3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
SMILESCc1c(F)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CC5C(C=O)C5C4)nc3)c12
InChIInChI=1S/C27H23FN6O/c1-15-23(28)8-7-18-26(17-4-3-5-24-21(17)11-32(2)30-24)31-34(27(15)18)16-6-9-25(29-10-16)33-12-19-20(13-33)22(19)14-35/h3-11,14,19-20,22H,12-13H2,1-2H3
InChIKeyJVJUGSRIISEULG-UHFFFAOYSA-N
XLogP4.30
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde?
The IUPAC name of 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde (CID 171533454) is 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde.
What is the SMILES notation for 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde?
The canonical SMILES for 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde is Cc1c(F)ccc2c(-c3cccc4nn(C)cc34)nn(-c3ccc(N4CC5C(C=O)C5C4)nc3)c12.
What is the InChIKey of 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde?
The InChIKey is JVJUGSRIISEULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-15-23(28)8-7-18-26(17-4-3-5-24-21(17)11-32(2)30-24)31-34(27(15)18)16-6-9-25(29-10-16)33-12-19-20(13-33)22(19)14-35/h3-11,14,19-20,22H,12-13H2,1-2H3.
What are the key properties of 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde?
3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde has a molecular weight of 466.52 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-fluoro-7-methyl-3-(2-methylindazol-4-yl)indazol-1-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde is sourced from PubChem (CID 171533454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).