4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde

C22H23F3N4O2 — CID 175693148

IUPAC4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O2/c1-31-20-10-18-15(12-29(28-18)17-7-5-14(13-30)6-8-17)9-19(20)26-11-16-3-2-4-21(27-16)22(23,24)25/h2-4,9-10,12-14,17,26H,5-8,11H2,1H3
InChIKeyDWMATNJLZJSWOJ-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.00
Rot. Bonds6

About 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde

4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde (PubChem CID 175693148) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
PubChem CID175693148
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O2/c1-31-20-10-18-15(12-29(28-18)17-7-5-14(13-30)6-8-17)9-19(20)26-11-16-3-2-4-21(27-16)22(23,24)25/h2-4,9-10,12-14,17,26H,5-8,11H2,1H3
InChIKeyDWMATNJLZJSWOJ-UHFFFAOYSA-N
XLogP5.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde
CID 175730586
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[6-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
4-[6-(2-hydroxypropan-2-yl)-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 167156787
2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158482410
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde (CID 175693148) is 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde is COc1cc2nn(C3CCC(C=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde?
The InChIKey is DWMATNJLZJSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-31-20-10-18-15(12-29(28-18)17-7-5-14(13-30)6-8-17)9-19(20)26-11-16-3-2-4-21(27-16)22(23,24)25/h2-4,9-10,12-14,17,26H,5-8,11H2,1H3.
What are the key properties of 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde?
4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde has a molecular weight of 432.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 175693148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).