(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine

C21H20N4O — CID 23647009

IUPAC(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)c4ccccc4)c3)cc12
InChIInChI=1S/C21H20N4O/c1-14-19-10-16(7-8-21(19)25-24-14)17-9-18(12-23-11-17)26-13-20(22)15-5-3-2-4-6-15/h2-12,20H,13,22H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyAQPXLTYTCOZDFT-HXUWFJFHSA-N
MW344.42 g/mol
LogP4.01
Rot. Bonds5

About (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine

(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine (PubChem CID 23647009) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine
PubChem CID23647009
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)c4ccccc4)c3)cc12
InChIInChI=1S/C21H20N4O/c1-14-19-10-16(7-8-21(19)25-24-14)17-9-18(12-23-11-17)26-13-20(22)15-5-3-2-4-6-15/h2-12,20H,13,22H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeyAQPXLTYTCOZDFT-HXUWFJFHSA-N
XLogP4.01
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine?
The IUPAC name of (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine (CID 23647009) is (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine.
What is the SMILES notation for (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine?
The canonical SMILES for (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)c4ccccc4)c3)cc12.
What is the InChIKey of (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine?
The InChIKey is AQPXLTYTCOZDFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-19-10-16(7-8-21(19)25-24-14)17-9-18(12-23-11-17)26-13-20(22)15-5-3-2-4-6-15/h2-12,20H,13,22H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine?
(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine has a molecular weight of 344.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine is sourced from PubChem (CID 23647009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).