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

C22H24F3N5O2 — CID 175730586

IUPAC2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde
SMILESCOc1cc2nn(C3CCN(CC=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-32-20-12-18-15(14-30(28-18)17-5-7-29(8-6-17)9-10-31)11-19(20)26-13-16-3-2-4-21(27-16)22(23,24)25/h2-4,10-12,14,17,26H,5-9,13H2,1H3
InChIKeyYCNXDKMSQBRXQD-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.91
Rot. Bonds7

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

2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde (PubChem CID 175730586) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde
PubChem CID175730586
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde
SMILESCOc1cc2nn(C3CCN(CC=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-32-20-12-18-15(14-30(28-18)17-5-7-29(8-6-17)9-10-31)11-19(20)26-13-16-3-2-4-21(27-16)22(23,24)25/h2-4,10-12,14,17,26H,5-9,13H2,1H3
InChIKeyYCNXDKMSQBRXQD-UHFFFAOYSA-N
XLogP3.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 175693148
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147444182
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158482410
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
CID 175632841
CID 175632841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde (CID 175730586) is 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde is COc1cc2nn(C3CCN(CC=O)CC3)cc2cc1NCc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde?
The InChIKey is YCNXDKMSQBRXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-32-20-12-18-15(14-30(28-18)17-5-7-29(8-6-17)9-10-31)11-19(20)26-13-16-3-2-4-21(27-16)22(23,24)25/h2-4,10-12,14,17,26H,5-9,13H2,1H3.
What are the key properties of 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde?
2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde has a molecular weight of 447.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]methylamino]indazol-2-yl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 175730586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).