(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C24H27N5O2 — CID 16731834

IUPAC(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN)c4)c3)cc12
InChIInChI=1S/C24H27N5O2/c1-16-23-12-18(5-6-24(23)29-28-16)19-11-22(14-27-13-19)31-15-20(26)9-17-3-2-4-21(10-17)30-8-7-25/h2-6,10-14,20H,7-9,15,25-26H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyYIHJNRKBPIZIGG-FQEVSTJZSA-N
MW417.51 g/mol
LogP3.22
Rot. Bonds9

About (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16731834) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16731834
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN)c4)c3)cc12
InChIInChI=1S/C24H27N5O2/c1-16-23-12-18(5-6-24(23)29-28-16)19-11-22(14-27-13-19)31-15-20(26)9-17-3-2-4-21(10-17)30-8-7-25/h2-6,10-14,20H,7-9,15,25-26H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyYIHJNRKBPIZIGG-FQEVSTJZSA-N
XLogP3.22
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine with MolForge

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Related Compounds

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CID 10172943
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16731834) is (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN)c4)c3)cc12.
What is the InChIKey of (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is YIHJNRKBPIZIGG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-23-12-18(5-6-24(23)29-28-16)19-11-22(14-27-13-19)31-15-20(26)9-17-3-2-4-21(10-17)30-8-7-25/h2-6,10-14,20H,7-9,15,25-26H2,1H3,(H,28,29)/t20-/m0/s1.
What are the key properties of (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 417.51 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-aminoethoxy)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16731834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).