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

C25H25N5O — CID 23647002

IUPAC(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]c2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1
InChIKeyMAPXATSSORDMDF-IBGZPJMESA-N
MW411.51 g/mol
LogP4.67
Rot. Bonds6

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

(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine (PubChem CID 23647002) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine
PubChem CID23647002
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCc1[nH]c2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1
InChIKeyMAPXATSSORDMDF-IBGZPJMESA-N
XLogP4.67
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)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-methyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine (CID 23647002) is (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine is Cc1[nH]c2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is MAPXATSSORDMDF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1.
What are the key properties of (2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine?
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(2-methyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 411.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 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-methyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 23647002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).