5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde

C19H20N4O2 — CID 123662374

IUPAC5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C19H20N4O2/c24-12-19-17-8-14(1-2-18(17)21-22-19)15-7-13(9-20-10-15)11-23-5-3-16(25)4-6-23/h1-2,7-10,12,16,25H,3-6,11H2,(H,21,22)
InChIKeyWCGKIIIGPPDSGF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.39
Rot. Bonds4

About 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde (PubChem CID 123662374) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde
PubChem CID123662374
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C19H20N4O2/c24-12-19-17-8-14(1-2-18(17)21-22-19)15-7-13(9-20-10-15)11-23-5-3-16(25)4-6-23/h1-2,7-10,12,16,25H,3-6,11H2,(H,21,22)
InChIKeyWCGKIIIGPPDSGF-UHFFFAOYSA-N
XLogP2.39
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382048
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine
CID 123857557
ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555156
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450822
N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382212
2-(1-prop-2-ynylpiperidin-4-yl)-1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethanone
CID 123243314
5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
CID 123604961
4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
CID 136643211
5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde
CID 169494769

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde (CID 123662374) is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde?
The InChIKey is WCGKIIIGPPDSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-12-19-17-8-14(1-2-18(17)21-22-19)15-7-13(9-20-10-15)11-23-5-3-16(25)4-6-23/h1-2,7-10,12,16,25H,3-6,11H2,(H,21,22).
What are the key properties of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde?
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde has a molecular weight of 336.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 123662374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).