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

C21H25FN4O — CID 45268404

IUPAC3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN4O/c1-3-11-25(12-4-2)21(27)23-14-16-5-10-20-17(13-16)15-24-26(20)19-8-6-18(22)7-9-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyBKYPFBBGDSHHFU-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.50
Rot. Bonds7

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

3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea (PubChem CID 45268404) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea
PubChem CID45268404
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H25FN4O/c1-3-11-25(12-4-2)21(27)23-14-16-5-10-20-17(13-16)15-24-26(20)19-8-6-18(22)7-9-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,27)
InChIKeyBKYPFBBGDSHHFU-UHFFFAOYSA-N
XLogP4.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea?
The IUPAC name of 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea (CID 45268404) is 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea?
The canonical SMILES for 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea is CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea?
The InChIKey is BKYPFBBGDSHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-3-11-25(12-4-2)21(27)23-14-16-5-10-20-17(13-16)15-24-26(20)19-8-6-18(22)7-9-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea?
3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea has a molecular weight of 368.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea is sourced from PubChem (CID 45268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).