(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol

C15H23N3O2 — CID 155021579

IUPAC(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
SMILESCc1[nH]nc2cccc(OC[C@@H](O)CNC(C)(C)C)c12
InChIInChI=1S/C15H23N3O2/c1-10-14-12(18-17-10)6-5-7-13(14)20-9-11(19)8-16-15(2,3)4/h5-7,11,16,19H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyOSPVWTPFPZMLOX-NSHDSACASA-N
MW277.37 g/mol
LogP2.00
Rot. Bonds5

About (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol

(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol (PubChem CID 155021579) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
PubChem CID155021579
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
SMILESCc1[nH]nc2cccc(OC[C@@H](O)CNC(C)(C)C)c12
InChIInChI=1S/C15H23N3O2/c1-10-14-12(18-17-10)6-5-7-13(14)20-9-11(19)8-16-15(2,3)4/h5-7,11,16,19H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyOSPVWTPFPZMLOX-NSHDSACASA-N
XLogP2.00
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

Mepindolol
CID 71698
4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole
CID 152662
Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10135864
(R)-N-(3-(1-hydroxy-2-(2-(3-ethylindazol-6-yloxy)ethylamino)ethyl)phenyl)methanesulfonamide
CID 45381852
N-[3-[(1R)-1-hydroxy-2-[2-[(3-propan-2-yl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 45381932
1-[(3-methoxypropyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-2-propanol
CID 3763936
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 122184835
(2S)-4-(2H-indazol-3-ylmethyl)-2-(phenoxymethyl)morpholine
CID 127032083
(R)-Mepindolol
CID 44445705
1-Propanamine, 3-(1H-indazol-3-yloxy)-N,N-dimethyl-
CID 10220074
(2S)-1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021525

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol (CID 155021579) is (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol is Cc1[nH]nc2cccc(OC[C@@H](O)CNC(C)(C)C)c12.
What is the InChIKey of (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
The InChIKey is OSPVWTPFPZMLOX-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-14-12(18-17-10)6-5-7-13(14)20-9-11(19)8-16-15(2,3)4/h5-7,11,16,19H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol?
(2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol has a molecular weight of 277.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(tert-butylamino)-3-[(3-methyl-2H-indazol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 155021579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).