1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone

C19H19N3O3 — CID 170858480

IUPAC1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-19(18-16-8-4-5-9-17(16)20-21-18)22-10-11-24-15(12-22)13-25-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeyROUDYJCKQYPSDC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds4

About 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone

1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone (PubChem CID 170858480) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
PubChem CID170858480
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCOC(COc2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-19(18-16-8-4-5-9-17(16)20-21-18)22-10-11-24-15(12-22)13-25-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeyROUDYJCKQYPSDC-UHFFFAOYSA-N
XLogP2.48
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]methyl-methylsulfonylamino]acetic acid
CID 129325444
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966
[(3R,4R)-4-hydroxy-4-methyl-3-phenoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110159629
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone (CID 170858480) is 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCOC(COc2ccccc2)C1.
What is the InChIKey of 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone?
The InChIKey is ROUDYJCKQYPSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(18-16-8-4-5-9-17(16)20-21-18)22-10-11-24-15(12-22)13-25-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21).
What are the key properties of 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone?
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 170858480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).