(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine

C21H21N5O — CID 162663876

IUPAC(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@H](N)Cc4ccccc4)n3)cc12
InChIInChI=1S/C21H21N5O/c1-14-18-10-16(7-8-19(18)26-25-14)20-11-23-12-21(24-20)27-13-17(22)9-15-5-3-2-4-6-15/h2-8,10-12,17H,9,13,22H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyVUPZOJFTOUSWQP-QGZVFWFLSA-N
MW359.43 g/mol
LogP3.28
Rot. Bonds6

About (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine

(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine (PubChem CID 162663876) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine
PubChem CID162663876
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@H](N)Cc4ccccc4)n3)cc12
InChIInChI=1S/C21H21N5O/c1-14-18-10-16(7-8-19(18)26-25-14)20-11-23-12-21(24-20)27-13-17(22)9-15-5-3-2-4-6-15/h2-8,10-12,17H,9,13,22H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyVUPZOJFTOUSWQP-QGZVFWFLSA-N
XLogP3.28
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine?
The IUPAC name of (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine (CID 162663876) is (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@H](N)Cc4ccccc4)n3)cc12.
What is the InChIKey of (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine?
The InChIKey is VUPZOJFTOUSWQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-18-10-16(7-8-19(18)26-25-14)20-11-23-12-21(24-20)27-13-17(22)9-15-5-3-2-4-6-15/h2-8,10-12,17H,9,13,22H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine?
(2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine has a molecular weight of 359.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(3-methyl-2H-indazol-5-yl)pyrazin-2-yl]oxy-3-phenylpropan-2-amine is sourced from PubChem (CID 162663876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).