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

C22H19F3N4O — CID 16733156

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12
InChIInChI=1S/C22H19F3N4O/c1-12-18-8-13(3-5-20(18)29-28-12)15-7-17(10-27-9-15)30-11-16(26)6-14-2-4-19(23)22(25)21(14)24/h2-5,7-10,16H,6,11,26H2,1H3,(H,28,29)/t16-/m0/s1
InChIKeyFBCVNOZXAZXDOD-INIZCTEOSA-N
MW412.42 g/mol
LogP4.30
Rot. Bonds6

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine (PubChem CID 16733156) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine
PubChem CID16733156
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12
InChIInChI=1S/C22H19F3N4O/c1-12-18-8-13(3-5-20(18)29-28-12)15-7-17(10-27-9-15)30-11-16(26)6-14-2-4-19(23)22(25)21(14)24/h2-5,7-10,16H,6,11,26H2,1H3,(H,28,29)/t16-/m0/s1
InChIKeyFBCVNOZXAZXDOD-INIZCTEOSA-N
XLogP4.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine (CID 16733156) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(F)c(F)c4F)c3)cc12.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine?
The InChIKey is FBCVNOZXAZXDOD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-12-18-8-13(3-5-20(18)29-28-12)15-7-17(10-27-9-15)30-11-16(26)6-14-2-4-19(23)22(25)21(14)24/h2-5,7-10,16H,6,11,26H2,1H3,(H,28,29)/t16-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2,3,4-trifluorophenyl)propan-2-amine has a molecular weight of 412.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2,3,4-trifluorophenyl)propan-2-amine is sourced from PubChem (CID 16733156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).