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

C25H25N5O — CID 10150925

IUPAC(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12
InChIInChI=1S/C25H25N5O/c1-2-23-22-11-16(7-8-25(22)30-29-23)17-10-20(14-27-12-17)31-15-19(26)9-18-13-28-24-6-4-3-5-21(18)24/h3-8,10-14,19,28H,2,9,15,26H2,1H3,(H,29,30)/t19-/m0/s1
InChIKeyLXOWCBOCRHDOIH-IBGZPJMESA-N
MW411.51 g/mol
LogP4.62
Rot. Bonds7

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

(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 10150925) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID10150925
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12
InChIInChI=1S/C25H25N5O/c1-2-23-22-11-16(7-8-25(22)30-29-23)17-10-20(14-27-12-17)31-15-19(26)9-18-13-28-24-6-4-3-5-21(18)24/h3-8,10-14,19,28H,2,9,15,26H2,1H3,(H,29,30)/t19-/m0/s1
InChIKeyLXOWCBOCRHDOIH-IBGZPJMESA-N
XLogP4.62
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 10150925) is (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is CCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is LXOWCBOCRHDOIH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-23-22-11-16(7-8-25(22)30-29-23)17-10-20(14-27-12-17)31-15-19(26)9-18-13-28-24-6-4-3-5-21(18)24/h3-8,10-14,19,28H,2,9,15,26H2,1H3,(H,29,30)/t19-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-ethyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 10150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).