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

C23H21F3N4O2 — CID 16731505

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(OC(F)(F)F)cc4)c3)cc12
InChIInChI=1S/C23H21F3N4O2/c1-14-21-10-16(4-7-22(21)30-29-14)17-9-20(12-28-11-17)31-13-18(27)8-15-2-5-19(6-3-15)32-23(24,25)26/h2-7,9-12,18H,8,13,27H2,1H3,(H,29,30)/t18-/m0/s1
InChIKeyZNSFWGXQWKZNKB-SFHVURJKSA-N
MW442.44 g/mol
LogP4.78
Rot. Bonds7

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (PubChem CID 16731505) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
PubChem CID16731505
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(OC(F)(F)F)cc4)c3)cc12
InChIInChI=1S/C23H21F3N4O2/c1-14-21-10-16(4-7-22(21)30-29-14)17-9-20(12-28-11-17)31-13-18(27)8-15-2-5-19(6-3-15)32-23(24,25)26/h2-7,9-12,18H,8,13,27H2,1H3,(H,29,30)/t18-/m0/s1
InChIKeyZNSFWGXQWKZNKB-SFHVURJKSA-N
XLogP4.78
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]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
3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
CID 16122642
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
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
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (CID 16731505) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(OC(F)(F)F)cc4)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The InChIKey is ZNSFWGXQWKZNKB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14-21-10-16(4-7-22(21)30-29-14)17-9-20(12-28-11-17)31-13-18(27)8-15-2-5-19(6-3-15)32-23(24,25)26/h2-7,9-12,18H,8,13,27H2,1H3,(H,29,30)/t18-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine has a molecular weight of 442.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 16731505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).