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

C23H23FN4O — CID 16731499

IUPAC(2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O/c1-14-3-5-19(24)7-17(14)8-20(25)13-29-21-9-18(11-26-12-21)16-4-6-23-22(10-16)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyQYMKAFLUGMIEQN-FQEVSTJZSA-N
MW390.46 g/mol
LogP4.33
Rot. Bonds6

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

(2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16731499) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16731499
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C23H23FN4O/c1-14-3-5-19(24)7-17(14)8-20(25)13-29-21-9-18(11-26-12-21)16-4-6-23-22(10-16)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1
InChIKeyQYMKAFLUGMIEQN-FQEVSTJZSA-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-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16731499) is (2S)-1-(5-fluoro-2-methylphenyl)-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-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of (2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is QYMKAFLUGMIEQN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-14-3-5-19(24)7-17(14)8-20(25)13-29-21-9-18(11-26-12-21)16-4-6-23-22(10-16)15(2)27-28-23/h3-7,9-12,20H,8,13,25H2,1-2H3,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16731499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).