3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde

C18H14N4O2 — CID 174671201

IUPAC3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde
SMILESO=CC1C=CN(c2cccc(-c3cccc4[nH]ncc34)n2)C=C1O
InChIInChI=1S/C18H14N4O2/c23-11-12-7-8-22(10-17(12)24)18-6-2-4-15(20-18)13-3-1-5-16-14(13)9-19-21-16/h1-12,24H,(H,19,21)
InChIKeySWSYGGLANMSMMX-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.17
Rot. Bonds3

About 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde

3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde (PubChem CID 174671201) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde
PubChem CID174671201
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde
SMILESO=CC1C=CN(c2cccc(-c3cccc4[nH]ncc34)n2)C=C1O
InChIInChI=1S/C18H14N4O2/c23-11-12-7-8-22(10-17(12)24)18-6-2-4-15(20-18)13-3-1-5-16-14(13)9-19-21-16/h1-12,24H,(H,19,21)
InChIKeySWSYGGLANMSMMX-UHFFFAOYSA-N
XLogP3.17
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.17
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

3-(1H-indazol-4-yl)phenol
CID 83445848
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
1H-indazol-4-yl formate
CID 134537782
3-(1H-indazol-4-yl)cinnoline
CID 123409262
4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
CID 137228905
5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid
CID 139351039
2-(1H-indazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 166360287
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
CID 174665708
CID 174665708
6-(1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 134492569
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde?
The IUPAC name of 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde (CID 174671201) is 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde is O=CC1C=CN(c2cccc(-c3cccc4[nH]ncc34)n2)C=C1O.
What is the InChIKey of 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde?
The InChIKey is SWSYGGLANMSMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-11-12-7-8-22(10-17(12)24)18-6-2-4-15(20-18)13-3-1-5-16-14(13)9-19-21-16/h1-12,24H,(H,19,21).
What are the key properties of 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde?
3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde has a molecular weight of 318.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde is sourced from PubChem (CID 174671201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).