1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea

C18H15F3N4O3 — CID 11668297

IUPAC1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)28-15-6-1-3-10-13(7-8-27-16(10)15)24-17(26)23-12-4-2-5-14-11(12)9-22-25-14/h1-6,9,13H,7-8H2,(H,22,25)(H2,23,24,26)
InChIKeyXKXJVTYDGSUSKI-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.11
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea

1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea (PubChem CID 11668297) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
PubChem CID11668297
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)28-15-6-1-3-10-13(7-8-27-16(10)15)24-17(26)23-12-4-2-5-14-11(12)9-22-25-14/h1-6,9,13H,7-8H2,(H,22,25)(H2,23,24,26)
InChIKeyXKXJVTYDGSUSKI-UHFFFAOYSA-N
XLogP4.11
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(1H-indazol-4-yl)-3-(8-(trifluoromethyl)chroman-4-yl)urea
CID 11603236
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(7-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11646277
1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-(7-(trifluoromethoxy)chroman-4-yl)urea
CID 11654024
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849
1-(1-(cyclohexylmethyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11711740
1-(1H-indazol-4-yl)-3-(8-(piperidin-1-yl)chroman-4-yl)urea
CID 11718098
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264622

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea (CID 11668297) is 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2c(OC(F)(F)F)cccc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The InChIKey is XKXJVTYDGSUSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c19-18(20,21)28-15-6-1-3-10-13(7-8-27-16(10)15)24-17(26)23-12-4-2-5-14-11(12)9-22-25-14/h1-6,9,13H,7-8H2,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea has a molecular weight of 392.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea is sourced from PubChem (CID 11668297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).