1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone

C18H22N6O2 — CID 45180211

IUPAC1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
SMILESCC(O)c1cn(C2CCN(C(=O)Cn3ncc4ccccc43)CC2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(25)16-11-23(21-20-16)15-6-8-22(9-7-15)18(26)12-24-17-5-3-2-4-14(17)10-19-24/h2-5,10-11,13,15,25H,6-9,12H2,1H3
InChIKeyGLNHBZLWYIABSZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone

1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone (PubChem CID 45180211) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
PubChem CID45180211
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
SMILESCC(O)c1cn(C2CCN(C(=O)Cn3ncc4ccccc43)CC2)nn1
InChIInChI=1S/C18H22N6O2/c1-13(25)16-11-23(21-20-16)15-6-8-22(9-7-15)18(26)12-24-17-5-3-2-4-14(17)10-19-24/h2-5,10-11,13,15,25H,6-9,12H2,1H3
InChIKeyGLNHBZLWYIABSZ-UHFFFAOYSA-N
XLogP1.54
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone with MolForge

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Related Compounds

2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 31134867
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
(1S)-1-[1-(1-benzylsulfonylpiperidin-4-yl)triazol-4-yl]ethanol
CID 31003861
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936775
[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936778
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367
1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 154752185
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
2-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 97021453

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone (CID 45180211) is 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone is CC(O)c1cn(C2CCN(C(=O)Cn3ncc4ccccc43)CC2)nn1.
What is the InChIKey of 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone?
The InChIKey is GLNHBZLWYIABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(25)16-11-23(21-20-16)15-6-8-22(9-7-15)18(26)12-24-17-5-3-2-4-14(17)10-19-24/h2-5,10-11,13,15,25H,6-9,12H2,1H3.
What are the key properties of 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone?
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone has a molecular weight of 354.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 45180211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).