2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde

C18H17FN4O2 — CID 90400719

IUPAC2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H17FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8H2,(H,21,22)
InChIKeyNYBMVTWCKMZNNV-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde (PubChem CID 90400719) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
PubChem CID90400719
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde
SMILESO=CCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H17FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8H2,(H,21,22)
InChIKeyNYBMVTWCKMZNNV-UHFFFAOYSA-N
XLogP2.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.34
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

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
CID 90400720
4-[4-[6-fluoro-5-(methylsulfonylmethyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400995
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
4-[4-(6-phenyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400805
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
3-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methylamino]propanenitrile
CID 85472357
3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole
CID 165137190
[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1-tritylindazol-5-yl]methanol
CID 90400910

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde?
The IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde (CID 90400719) is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde is O=CCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F.
What is the InChIKey of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde?
The InChIKey is NYBMVTWCKMZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,6,9-11H,2,4-5,7-8H2,(H,21,22).
What are the key properties of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde?
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde has a molecular weight of 340.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]acetaldehyde is sourced from PubChem (CID 90400719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).