2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine

C17H21N5O2 — CID 154565707

IUPAC2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
SMILESCOc1ccc2[nH]nc(-c3nccn3CC3CN(C)CCO3)c2c1
InChIInChI=1S/C17H21N5O2/c1-21-7-8-24-13(10-21)11-22-6-5-18-17(22)16-14-9-12(23-2)3-4-15(14)19-20-16/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyKSLZCFQXHHLDFB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.77
Rot. Bonds4

About 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine

2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine (PubChem CID 154565707) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
PubChem CID154565707
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
SMILESCOc1ccc2[nH]nc(-c3nccn3CC3CN(C)CCO3)c2c1
InChIInChI=1S/C17H21N5O2/c1-21-7-8-24-13(10-21)11-22-6-5-18-17(22)16-14-9-12(23-2)3-4-15(14)19-20-16/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyKSLZCFQXHHLDFB-UHFFFAOYSA-N
XLogP1.77
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
CID 106539026
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
CID 146040864
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
formic acid;2-[2-methoxy-5-[1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-yl]phenyl]-5-methylpyrimidin-4-amine
CID 166598207
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
CID 79172400
(2R)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2-(2-piperazin-1-ylethyl)morpholine
CID 165137556
5-methoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-indole-2-carboxamide
CID 56719368

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine (CID 154565707) is 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine is COc1ccc2[nH]nc(-c3nccn3CC3CN(C)CCO3)c2c1.
What is the InChIKey of 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine?
The InChIKey is KSLZCFQXHHLDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-8-24-13(10-21)11-22-6-5-18-17(22)16-14-9-12(23-2)3-4-15(14)19-20-16/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine?
2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine has a molecular weight of 327.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 154565707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).