[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone

C20H21N3O3 — CID 166249087

IUPAC[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)c3cc(C)cc4cn[nH]c34)CCO2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-9-15-11-21-22-19(15)17(10-13)20(24)23-7-8-26-18(12-23)14-3-5-16(25-2)6-4-14/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyNHPRKUDJBAWVSE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds3

About [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone

[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone (PubChem CID 166249087) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
PubChem CID166249087
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
SMILESCOc1ccc(C2CN(C(=O)c3cc(C)cc4cn[nH]c34)CCO2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-9-15-11-21-22-19(15)17(10-13)20(24)23-7-8-26-18(12-23)14-3-5-16(25-2)6-4-14/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyNHPRKUDJBAWVSE-UHFFFAOYSA-N
XLogP3.09
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128716620
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 166280653
(5-hydroxy-2-pyridinyl)-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555607
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone (CID 166249087) is [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone is COc1ccc(C2CN(C(=O)c3cc(C)cc4cn[nH]c34)CCO2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone?
The InChIKey is NHPRKUDJBAWVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-9-15-11-21-22-19(15)17(10-13)20(24)23-7-8-26-18(12-23)14-3-5-16(25-2)6-4-14/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone?
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone is sourced from PubChem (CID 166249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).