(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C27H28N6O2 — CID 10238690

IUPAC(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H28N6O2/c28-21(11-20-15-30-25-4-2-1-3-23(20)25)17-35-22-12-19(14-29-16-22)18-5-6-26-24(13-18)27(32-31-26)33-7-9-34-10-8-33/h1-6,12-16,21,30H,7-11,17,28H2,(H,31,32)/t21-/m0/s1
InChIKeyNGPZTKSXKYXUFA-NRFANRHFSA-N
MW468.56 g/mol
LogP3.89
Rot. Bonds7

About (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 10238690) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID10238690
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H28N6O2/c28-21(11-20-15-30-25-4-2-1-3-23(20)25)17-35-22-12-19(14-29-16-22)18-5-6-26-24(13-18)27(32-31-26)33-7-9-34-10-8-33/h1-6,12-16,21,30H,7-11,17,28H2,(H,31,32)/t21-/m0/s1
InChIKeyNGPZTKSXKYXUFA-NRFANRHFSA-N
XLogP3.89
TPSA105.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 10238690) is (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is NGPZTKSXKYXUFA-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28N6O2/c28-21(11-20-15-30-25-4-2-1-3-23(20)25)17-35-22-12-19(14-29-16-22)18-5-6-26-24(13-18)27(32-31-26)33-7-9-34-10-8-33/h1-6,12-16,21,30H,7-11,17,28H2,(H,31,32)/t21-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 468.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[[5-(3-morpholin-4-yl-1H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 10238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).