1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol

C21H27FN4O — CID 69028239

IUPAC1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)(CF)CNc1cc(C)cc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H27FN4O/c1-3-9-23-14-21(27,13-22)15-24-19-10-16(2)11-20-18(19)12-25-26(20)17-7-5-4-6-8-17/h4-8,10-12,23-24,27H,3,9,13-15H2,1-2H3
InChIKeyUUCGAWQBIYARRN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.45
Rot. Bonds9

About 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol

1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol (PubChem CID 69028239) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol
PubChem CID69028239
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)(CF)CNc1cc(C)cc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H27FN4O/c1-3-9-23-14-21(27,13-22)15-24-19-10-16(2)11-20-18(19)12-25-26(20)17-7-5-4-6-8-17/h4-8,10-12,23-24,27H,3,9,13-15H2,1-2H3
InChIKeyUUCGAWQBIYARRN-UHFFFAOYSA-N
XLogP3.45
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol (CID 69028239) is 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol is CCCNCC(O)(CF)CNc1cc(C)cc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol?
The InChIKey is UUCGAWQBIYARRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-3-9-23-14-21(27,13-22)15-24-19-10-16(2)11-20-18(19)12-25-26(20)17-7-5-4-6-8-17/h4-8,10-12,23-24,27H,3,9,13-15H2,1-2H3.
What are the key properties of 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol?
1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol has a molecular weight of 370.47 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[(6-methyl-1-phenylindazol-4-yl)amino]methyl]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 69028239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).