(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

C22H20F2N4O — CID 16732883

IUPAC(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12
InChIInChI=1S/C22H20F2N4O/c1-13-18-8-14(5-6-22(18)28-27-13)15-7-17(11-26-10-15)29-12-16(25)9-19-20(23)3-2-4-21(19)24/h2-8,10-11,16H,9,12,25H2,1H3,(H,27,28)/t16-/m0/s1
InChIKeyCGGAUEQIORNODN-INIZCTEOSA-N
MW394.43 g/mol
LogP4.16
Rot. Bonds6

About (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16732883) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16732883
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12
InChIInChI=1S/C22H20F2N4O/c1-13-18-8-14(5-6-22(18)28-27-13)15-7-17(11-26-10-15)29-12-16(25)9-19-20(23)3-2-4-21(19)24/h2-8,10-11,16H,9,12,25H2,1H3,(H,27,28)/t16-/m0/s1
InChIKeyCGGAUEQIORNODN-INIZCTEOSA-N
XLogP4.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2,6-difluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16732883) is (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12.
What is the InChIKey of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is CGGAUEQIORNODN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-13-18-8-14(5-6-22(18)28-27-13)15-7-17(11-26-10-15)29-12-16(25)9-19-20(23)3-2-4-21(19)24/h2-8,10-11,16H,9,12,25H2,1H3,(H,27,28)/t16-/m0/s1.
What are the key properties of (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 394.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-difluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16732883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).