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

C23H23FN4O2 — CID 16733397

IUPAC(2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCOc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O2/c1-14-21-10-15(3-5-22(21)28-27-14)17-9-20(12-26-11-17)30-13-19(25)8-16-7-18(24)4-6-23(16)29-2/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyLDEDKSSJQNWMBW-IBGZPJMESA-N
MW406.46 g/mol
LogP4.03
Rot. Bonds7

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

(2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16733397) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16733397
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name(2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCOc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O2/c1-14-21-10-15(3-5-22(21)28-27-14)17-9-20(12-26-11-17)30-13-19(25)8-16-7-18(24)4-6-23(16)29-2/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyLDEDKSSJQNWMBW-IBGZPJMESA-N
XLogP4.03
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16733397) is (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is COc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is LDEDKSSJQNWMBW-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-21-10-15(3-5-22(21)28-27-14)17-9-20(12-26-11-17)30-13-19(25)8-16-7-18(24)4-6-23(16)29-2/h3-7,9-12,19H,8,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 406.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoro-2-methoxyphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16733397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).