(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C23H34N4O3 — CID 28956370

IUPAC(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C23H34N4O3/c1-26(16-23-21-7-2-3-8-22(21)24-25-23)14-18-5-4-6-20(13-18)30-17-19(28)15-27-9-11-29-12-10-27/h4-6,13,19,28H,2-3,7-12,14-17H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyZZOQMFWALMAQIM-LJQANCHMSA-N
MW414.55 g/mol
LogP1.99
Rot. Bonds9

About (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 28956370) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID28956370
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C23H34N4O3/c1-26(16-23-21-7-2-3-8-22(21)24-25-23)14-18-5-4-6-20(13-18)30-17-19(28)15-27-9-11-29-12-10-27/h4-6,13,19,28H,2-3,7-12,14-17H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyZZOQMFWALMAQIM-LJQANCHMSA-N
XLogP1.99
TPSA73.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[3-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
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CID 45207449
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
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CID 72863257
1-(4-ethylpiperazin-1-yl)-3-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45208391
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]propan-2-ol
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1-(azepan-1-yl)-3-[3-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45219743
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(2R)-1-[3-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97274159
(2R)-1-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 30851994
1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 28956370) is (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is CN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZZOQMFWALMAQIM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-26(16-23-21-7-2-3-8-22(21)24-25-23)14-18-5-4-6-20(13-18)30-17-19(28)15-27-9-11-29-12-10-27/h4-6,13,19,28H,2-3,7-12,14-17H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 414.55 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 28956370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).