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

C22H20Cl2N4O — CID 16731495

IUPAC(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(Cl)cc(Cl)c4)c3)cc12
InChIInChI=1S/C22H20Cl2N4O/c1-13-21-8-15(2-3-22(21)28-27-13)16-7-20(11-26-10-16)29-12-19(25)6-14-4-17(23)9-18(24)5-14/h2-5,7-11,19H,6,12,25H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyDALRTELPWRMRAK-IBGZPJMESA-N
MW427.34 g/mol
LogP5.19
Rot. Bonds6

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

(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (PubChem CID 16731495) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
PubChem CID16731495
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(Cl)cc(Cl)c4)c3)cc12
InChIInChI=1S/C22H20Cl2N4O/c1-13-21-8-15(2-3-22(21)28-27-13)16-7-20(11-26-10-16)29-12-19(25)6-14-4-17(23)9-18(24)5-14/h2-5,7-11,19H,6,12,25H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyDALRTELPWRMRAK-IBGZPJMESA-N
XLogP5.19
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(3,5-dichlorophenyl)-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-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine (CID 16731495) is (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4cc(Cl)cc(Cl)c4)c3)cc12.
What is the InChIKey of (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is DALRTELPWRMRAK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c1-13-21-8-15(2-3-22(21)28-27-13)16-7-20(11-26-10-16)29-12-19(25)6-14-4-17(23)9-18(24)5-14/h2-5,7-11,19H,6,12,25H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(3,5-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 427.34 g/mol, XLogP of 5.19, 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-dichlorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 16731495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).