1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol

C20H26N4O — CID 69030326

IUPAC1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C(N)(c1ccccc1)c1cccc2[nH]ncc12
InChIInChI=1S/C20H26N4O/c1-3-12-22-14-19(2,25)20(21,15-8-5-4-6-9-15)17-10-7-11-18-16(17)13-23-24-18/h4-11,13,22,25H,3,12,14,21H2,1-2H3,(H,23,24)
InChIKeyFMCNVPTTZVHHFS-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.52
Rot. Bonds7

About 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol

1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol (PubChem CID 69030326) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol
PubChem CID69030326
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)C(N)(c1ccccc1)c1cccc2[nH]ncc12
InChIInChI=1S/C20H26N4O/c1-3-12-22-14-19(2,25)20(21,15-8-5-4-6-9-15)17-10-7-11-18-16(17)13-23-24-18/h4-11,13,22,25H,3,12,14,21H2,1-2H3,(H,23,24)
InChIKeyFMCNVPTTZVHHFS-UHFFFAOYSA-N
XLogP2.52
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol (CID 69030326) is 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)C(N)(c1ccccc1)c1cccc2[nH]ncc12.
What is the InChIKey of 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol?
The InChIKey is FMCNVPTTZVHHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-12-22-14-19(2,25)20(21,15-8-5-4-6-9-15)17-10-7-11-18-16(17)13-23-24-18/h4-11,13,22,25H,3,12,14,21H2,1-2H3,(H,23,24).
What are the key properties of 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol?
1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol has a molecular weight of 338.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 69030326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).