(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol

C16H25N3O3 — CID 155021525

IUPAC(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
SMILESCOCC(C)(C)NC[C@H](O)COc1cccc2n[nH]c(C)c12
InChIInChI=1S/C16H25N3O3/c1-11-15-13(19-18-11)6-5-7-14(15)22-9-12(20)8-17-16(2,3)10-21-4/h5-7,12,17,20H,8-10H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyIVHLKOQACLFVLG-LBPRGKRZSA-N
MW307.39 g/mol
LogP1.63
Rot. Bonds8

About (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol

(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol (PubChem CID 155021525) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
PubChem CID155021525
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
SMILESCOCC(C)(C)NC[C@H](O)COc1cccc2n[nH]c(C)c12
InChIInChI=1S/C16H25N3O3/c1-11-15-13(19-18-11)6-5-7-14(15)22-9-12(20)8-17-16(2,3)10-21-4/h5-7,12,17,20H,8-10H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKeyIVHLKOQACLFVLG-LBPRGKRZSA-N
XLogP1.63
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol with MolForge

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Related Compounds

(2S)-5,5-dimethyl-1-[(3-methyl-2H-indazol-4-yl)oxy]hexan-2-ol
CID 157288625
(2S)-1-[1-(2-methoxyphenyl)propan-2-ylamino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 154607477
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
1-(3-ethylazetidin-1-yl)-4-[[(2S)-2-hydroxy-3-[(3-methyl-2H-indazol-4-yl)oxy]propyl]amino]butan-1-one
CID 159024574
2-[2-hydroxy-3-[[2-methyl-1-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]propan-2-yl]amino]propoxy]-6-methylbenzonitrile
CID 10340232
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-[(3-propyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021583
3-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione
CID 10000057
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
tert-butyl-dimethyl-[(3-methyl-2H-indazol-4-yl)oxy]silane
CID 10515648
methyl 4-[[4-[2-[[(2S)-3-(2H-benzotriazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]methyl]benzoate
CID 15429150

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol (CID 155021525) is (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol is COCC(C)(C)NC[C@H](O)COc1cccc2n[nH]c(C)c12.
What is the InChIKey of (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The InChIKey is IVHLKOQACLFVLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-15-13(19-18-11)6-5-7-14(15)22-9-12(20)8-17-16(2,3)10-21-4/h5-7,12,17,20H,8-10H2,1-4H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol has a molecular weight of 307.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 155021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).