(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C24H20F6N4O — CID 16733286

IUPAC(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C24H20F6N4O/c1-13-21-8-15(2-3-22(21)34-33-13)16-7-20(11-32-10-16)35-12-19(31)6-14-4-17(23(25,26)27)9-18(5-14)24(28,29)30/h2-5,7-11,19H,6,12,31H2,1H3,(H,33,34)/t19-/m0/s1
InChIKeyGCVLRYZKRKMULB-IBGZPJMESA-N
MW494.44 g/mol
LogP5.92
Rot. Bonds6

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

(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16733286) has the molecular formula C24H20F6N4O and a molecular weight of 494.44 g/mol. Its IUPAC name is (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16733286
Molecular FormulaC24H20F6N4O
Molecular Weight494.44 g/mol
Exact Mass494.15
IUPAC Name(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C24H20F6N4O/c1-13-21-8-15(2-3-22(21)34-33-13)16-7-20(11-32-10-16)35-12-19(31)6-14-4-17(23(25,26)27)9-18(5-14)24(28,29)30/h2-5,7-11,19H,6,12,31H2,1H3,(H,33,34)/t19-/m0/s1
InChIKeyGCVLRYZKRKMULB-IBGZPJMESA-N
XLogP5.92
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
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
CID 6914613
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
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-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16733286) is (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)cc12.
What is the InChIKey of (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is GCVLRYZKRKMULB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H20F6N4O/c1-13-21-8-15(2-3-22(21)34-33-13)16-7-20(11-32-10-16)35-12-19(31)6-14-4-17(23(25,26)27)9-18(5-14)24(28,29)30/h2-5,7-11,19H,6,12,31H2,1H3,(H,33,34)/t19-/m0/s1.
What are the key properties of (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 494.44 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16733286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).