4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde

C22H26FN3O2 — CID 163362497

IUPAC4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde
SMILESCC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1N1C=C(F)C=CC1
InChIInChI=1S/C22H26FN3O2/c1-22(2,28)19-11-20-16(10-21(19)25-9-3-4-17(23)13-25)12-26(24-20)18-7-5-15(14-27)6-8-18/h3-4,10-15,18,28H,5-9H2,1-2H3
InChIKeySSGJPQLZKQUDBH-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.38
Rot. Bonds4

About 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde

4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde (PubChem CID 163362497) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde
PubChem CID163362497
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde
SMILESCC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1N1C=C(F)C=CC1
InChIInChI=1S/C22H26FN3O2/c1-22(2,28)19-11-20-16(10-21(19)25-9-3-4-17(23)13-25)12-26(24-20)18-7-5-15(14-27)6-8-18/h3-4,10-15,18,28H,5-9H2,1-2H3
InChIKeySSGJPQLZKQUDBH-UHFFFAOYSA-N
XLogP4.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 168854236
4-[6-(2-hydroxypropan-2-yl)-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 167156787
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
CID 155437843
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]formamide
CID 167156213
tert-butyl 4-[4-[5-amino-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexyl]piperazine-1-carboxylate
CID 170436386
[4-[6-methoxy-5-(5-methoxy-2H-pyridin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 169226945
N-[6-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155448913
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
2-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-1H-pyridazine-3-carboxamide
CID 155437859

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde (CID 163362497) is 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde is CC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1N1C=C(F)C=CC1.
What is the InChIKey of 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde?
The InChIKey is SSGJPQLZKQUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-22(2,28)19-11-20-16(10-21(19)25-9-3-4-17(23)13-25)12-26(24-20)18-7-5-15(14-27)6-8-18/h3-4,10-15,18,28H,5-9H2,1-2H3.
What are the key properties of 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde?
4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde has a molecular weight of 383.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2H-pyridin-1-yl)-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 163362497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).