(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine

C24H26N4O — CID 23647011

IUPAC(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OCCC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C24H26N4O/c1-17-23-14-19(9-10-24(23)28-27-17)20-13-22(16-26-15-20)29-11-5-8-21(25)12-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-16,21H,5,8,11-12,25H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyLZANKSAKOUCWLW-OAQYLSRUSA-N
MW386.50 g/mol
LogP4.66
Rot. Bonds8

About (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine

(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine (PubChem CID 23647011) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine.

Molecular Properties

Compound Name(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine
PubChem CID23647011
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OCCC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C24H26N4O/c1-17-23-14-19(9-10-24(23)28-27-17)20-13-22(16-26-15-20)29-11-5-8-21(25)12-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-16,21H,5,8,11-12,25H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyLZANKSAKOUCWLW-OAQYLSRUSA-N
XLogP4.66
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine?
The IUPAC name of (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine (CID 23647011) is (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine.
What is the SMILES notation for (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine?
The canonical SMILES for (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OCCC[C@@H](N)Cc4ccccc4)c3)cc12.
What is the InChIKey of (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine?
The InChIKey is LZANKSAKOUCWLW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-23-14-19(9-10-24(23)28-27-17)20-13-22(16-26-15-20)29-11-5-8-21(25)12-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-16,21H,5,8,11-12,25H2,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine?
(2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine has a molecular weight of 386.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylpentan-2-amine is sourced from PubChem (CID 23647011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).