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

C28H33N5O3 — CID 16731671

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN5CCOCC5)c4)c3)cc12
InChIInChI=1S/C28H33N5O3/c1-20-27-16-22(5-6-28(27)32-31-20)23-15-26(18-30-17-23)36-19-24(29)13-21-3-2-4-25(14-21)35-12-9-33-7-10-34-11-8-33/h2-6,14-18,24H,7-13,19,29H2,1H3,(H,31,32)/t24-/m0/s1
InChIKeyWMHUNWSSFWGGDP-DEOSSOPVSA-N
MW487.60 g/mol
LogP3.59
Rot. Bonds10

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine (PubChem CID 16731671) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
PubChem CID16731671
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN5CCOCC5)c4)c3)cc12
InChIInChI=1S/C28H33N5O3/c1-20-27-16-22(5-6-28(27)32-31-20)23-15-26(18-30-17-23)36-19-24(29)13-21-3-2-4-25(14-21)35-12-9-33-7-10-34-11-8-33/h2-6,14-18,24H,7-13,19,29H2,1H3,(H,31,32)/t24-/m0/s1
InChIKeyWMHUNWSSFWGGDP-DEOSSOPVSA-N
XLogP3.59
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine (CID 16731671) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(OCCN5CCOCC5)c4)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The InChIKey is WMHUNWSSFWGGDP-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-20-27-16-22(5-6-28(27)32-31-20)23-15-26(18-30-17-23)36-19-24(29)13-21-3-2-4-25(14-21)35-12-9-33-7-10-34-11-8-33/h2-6,14-18,24H,7-13,19,29H2,1H3,(H,31,32)/t24-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine has a molecular weight of 487.60 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[3-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 16731671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).