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

C23H23FN4O — CID 16733278

IUPAC(2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1ccc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)cc1F
InChIInChI=1S/C23H23FN4O/c1-14-3-4-16(8-22(14)24)7-19(25)13-29-20-9-18(11-26-12-20)17-5-6-23-21(10-17)15(2)27-28-23/h3-6,8-12,19H,7,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyAYHSIFYQYXUXBQ-IBGZPJMESA-N
MW390.46 g/mol
LogP4.33
Rot. Bonds6

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

(2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16733278) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16733278
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1ccc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)cc1F
InChIInChI=1S/C23H23FN4O/c1-14-3-4-16(8-22(14)24)7-19(25)13-29-20-9-18(11-26-12-20)17-5-6-23-21(10-17)15(2)27-28-23/h3-6,8-12,19H,7,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1
InChIKeyAYHSIFYQYXUXBQ-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

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

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
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CID 11610553
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
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3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
CID 16122642
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16733278) is (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1ccc(C[C@H](N)COc2cncc(-c3ccc4n[nH]c(C)c4c3)c2)cc1F.
What is the InChIKey of (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is AYHSIFYQYXUXBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23FN4O/c1-14-3-4-16(8-22(14)24)7-19(25)13-29-20-9-18(11-26-12-20)17-5-6-23-21(10-17)15(2)27-28-23/h3-6,8-12,19H,7,13,25H2,1-2H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-1-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16733278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).