[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone

C15H19N3O3 — CID 114778406

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2n[nH]c3ccccc23)CC(CO)O1
InChIInChI=1S/C15H19N3O3/c1-15(2)9-18(7-10(8-19)21-15)14(20)13-11-5-3-4-6-12(11)16-17-13/h3-6,10,19H,7-9H2,1-2H3,(H,16,17)
InChIKeyJRUHMLDHIKFUOS-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.17
Rot. Bonds2

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone (PubChem CID 114778406) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
PubChem CID114778406
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2n[nH]c3ccccc23)CC(CO)O1
InChIInChI=1S/C15H19N3O3/c1-15(2)9-18(7-10(8-19)21-15)14(20)13-11-5-3-4-6-12(11)16-17-13/h3-6,10,19H,7-9H2,1-2H3,(H,16,17)
InChIKeyJRUHMLDHIKFUOS-UHFFFAOYSA-N
XLogP1.17
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-3-yl-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138387186
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
2,7-diazaspiro[3.5]nonan-2-yl(1H-indazol-3-yl)methanone
CID 166081618

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone (CID 114778406) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone is CC1(C)CN(C(=O)c2n[nH]c3ccccc23)CC(CO)O1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is JRUHMLDHIKFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2)9-18(7-10(8-19)21-15)14(20)13-11-5-3-4-6-12(11)16-17-13/h3-6,10,19H,7-9H2,1-2H3,(H,16,17).
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 114778406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).