[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone

C14H17N3O3 — CID 81219563

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCC1COC(CO)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9-8-20-10(7-18)6-17(9)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10,18H,6-8H2,1H3,(H,15,16)
InChIKeyVCXZWASHWFATRQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.78
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone (PubChem CID 81219563) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
PubChem CID81219563
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCC1COC(CO)CN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9-8-20-10(7-18)6-17(9)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10,18H,6-8H2,1H3,(H,15,16)
InChIKeyVCXZWASHWFATRQ-UHFFFAOYSA-N
XLogP0.78
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
[(2R,5R)-4-ethyl-2,5-dimethylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 124732884
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
4-(2,5-dimethylmorpholine-4-carbonyl)-2H-phthalazin-1-one
CID 43420923
[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-isoquinolin-4-ylmethanone
CID 97250578
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 114778406
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[2-(bromomethyl)-5-methylmorpholin-4-yl]-isoquinolin-1-ylmethanone
CID 81214033
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 136587995
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114609733
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 69289285

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone (CID 81219563) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone is CC1COC(CO)CN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is VCXZWASHWFATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-8-20-10(7-18)6-17(9)14(19)13-11-4-2-3-5-12(11)15-16-13/h2-5,9-10,18H,6-8H2,1H3,(H,15,16).
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 275.31 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 81219563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).