1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea

C22H27FN4O — CID 45271789

IUPAC1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea
SMILESCCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN4O/c1-4-12-26(13-5-2)22(28)25(3)16-17-6-11-21-18(14-17)15-24-27(21)20-9-7-19(23)8-10-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
InChIKeyZMTBBWOKUQUMRJ-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.84
Rot. Bonds7

About 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea

1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea (PubChem CID 45271789) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea
PubChem CID45271789
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea
SMILESCCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN4O/c1-4-12-26(13-5-2)22(28)25(3)16-17-6-11-21-18(14-17)15-24-27(21)20-9-7-19(23)8-10-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
InChIKeyZMTBBWOKUQUMRJ-UHFFFAOYSA-N
XLogP4.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea?
The IUPAC name of 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea (CID 45271789) is 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea is CCCN(CCC)C(=O)N(C)Cc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea?
The InChIKey is ZMTBBWOKUQUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-4-12-26(13-5-2)22(28)25(3)16-17-6-11-21-18(14-17)15-24-27(21)20-9-7-19(23)8-10-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3.
What are the key properties of 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea?
1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea has a molecular weight of 382.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea is sourced from PubChem (CID 45271789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).