(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C23H23FN4O — CID 16731501

IUPAC(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1cc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)ccc1F
InChIInChI=1S/C23H23FN4O/c1-14-7-16(3-5-22(14)24)8-19(25)13-29-20-9-18(11-26-12-20)17-4-6-23-21(10-17)15(2)27-28-23/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyJOFACDZVAMLCKI-IBGZPJMESA-N
MW390.46 g/mol
LogP4.33
Rot. Bonds6

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

(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16731501) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16731501
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1cc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)ccc1F
InChIInChI=1S/C23H23FN4O/c1-14-7-16(3-5-22(14)24)8-19(25)13-29-20-9-18(11-26-12-20)17-4-6-23-21(10-17)15(2)27-28-23/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyJOFACDZVAMLCKI-IBGZPJMESA-N
XLogP4.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16731501) is (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1cc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)ccc1F.
What is the InChIKey of (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is JOFACDZVAMLCKI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23FN4O/c1-14-7-16(3-5-22(14)24)8-19(25)13-29-20-9-18(11-26-12-20)17-4-6-23-21(10-17)15(2)27-28-23/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 390.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluoro-3-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16731501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).