1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea

C17H15FN4O2 — CID 53251173

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C17H15FN4O2/c18-10-4-5-16-11(8-10)14(6-7-24-16)21-17(23)20-13-2-1-3-15-12(13)9-19-22-15/h1-5,8-9,14H,6-7H2,(H,19,22)(H2,20,21,23)
InChIKeyWDXRHDBNVFLNOA-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 53251173) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
PubChem CID53251173
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C17H15FN4O2/c18-10-4-5-16-11(8-10)14(6-7-24-16)21-17(23)20-13-2-1-3-15-12(13)9-19-22-15/h1-5,8-9,14H,6-7H2,(H,19,22)(H2,20,21,23)
InChIKeyWDXRHDBNVFLNOA-UHFFFAOYSA-N
XLogP3.35
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea (CID 53251173) is 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is WDXRHDBNVFLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-10-4-5-16-11(8-10)14(6-7-24-16)21-17(23)20-13-2-1-3-15-12(13)9-19-22-15/h1-5,8-9,14H,6-7H2,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea?
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 326.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 53251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).