1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

C21H23FN4O — CID 11485402

IUPAC1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc2c(c1)CC(F)C2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H23FN4O/c1-21(2,3)13-7-8-14-12(9-13)10-16(22)19(14)25-20(27)24-17-5-4-6-18-15(17)11-23-26-18/h4-9,11,16,19H,10H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyGNRVWTIJRDMIID-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.62
Rot. Bonds2

About 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11485402) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11485402
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc2c(c1)CC(F)C2NC(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H23FN4O/c1-21(2,3)13-7-8-14-12(9-13)10-16(22)19(14)25-20(27)24-17-5-4-6-18-15(17)11-23-26-18/h4-9,11,16,19H,10H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyGNRVWTIJRDMIID-UHFFFAOYSA-N
XLogP4.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (CID 11485402) is 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is CC(C)(C)c1ccc2c(c1)CC(F)C2NC(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is GNRVWTIJRDMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-21(2,3)13-7-8-14-12(9-13)10-16(22)19(14)25-20(27)24-17-5-4-6-18-15(17)11-23-26-18/h4-9,11,16,19H,10H2,1-3H3,(H,23,26)(H2,24,25,27).
What are the key properties of 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 366.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11485402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).