1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea

C26H35FN4O3 — CID 68705230

IUPAC1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
SMILESCC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(CO)CO
InChIInChI=1S/C26H35FN4O3/c1-17(2)11-23(26(3,4)16-28-25(34)30-21(14-32)15-33)18-5-10-24-19(12-18)13-29-31(24)22-8-6-20(27)7-9-22/h5-10,12-13,17,21,23,32-33H,11,14-16H2,1-4H3,(H2,28,30,34)
InChIKeySQLXEHPYFDITHX-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.97
Rot. Bonds10

About 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea

1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea (PubChem CID 68705230) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
PubChem CID68705230
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
SMILESCC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(CO)CO
InChIInChI=1S/C26H35FN4O3/c1-17(2)11-23(26(3,4)16-28-25(34)30-21(14-32)15-33)18-5-10-24-19(12-18)13-29-31(24)22-8-6-20(27)7-9-22/h5-10,12-13,17,21,23,32-33H,11,14-16H2,1-4H3,(H2,28,30,34)
InChIKeySQLXEHPYFDITHX-UHFFFAOYSA-N
XLogP3.97
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea with MolForge

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Related Compounds

1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]-3-(1-hydroxypropan-2-yl)urea
CID 68706316
1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
CID 24936450
1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]-3-(2-methylbut-3-yn-2-yl)urea
CID 87544376
2-[[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]carbamoylamino]-2-methyl-N-phenylpropanamide
CID 68707640
1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea
CID 24936969
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 68708258
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
1-ethyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,3-trimethylbutyl]urea
CID 59251182
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
2,2,2-trifluoro-N-[3-[1-(4-fluorophenyl)indazol-5-yl]-5-methyl-2-methylidenehexyl]ethanesulfonamide
CID 89270416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea (CID 68705230) is 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea is CC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(CO)CO.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea?
The InChIKey is SQLXEHPYFDITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-17(2)11-23(26(3,4)16-28-25(34)30-21(14-32)15-33)18-5-10-24-19(12-18)13-29-31(24)22-8-6-20(27)7-9-22/h5-10,12-13,17,21,23,32-33H,11,14-16H2,1-4H3,(H2,28,30,34).
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea?
1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea has a molecular weight of 470.59 g/mol, XLogP of 3.97, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea is sourced from PubChem (CID 68705230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).