1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C16H24N4O — CID 127727149

IUPAC1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCCc2cn[nH]c21)NC1CC12CCCCC2
InChIInChI=1S/C16H24N4O/c21-15(19-13-9-16(13)7-2-1-3-8-16)18-12-6-4-5-11-10-17-20-14(11)12/h10,12-13H,1-9H2,(H,17,20)(H2,18,19,21)
InChIKeyAJVKOEHZAVAZJL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.81
Rot. Bonds2

About 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 127727149) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID127727149
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NC1CCCc2cn[nH]c21)NC1CC12CCCCC2
InChIInChI=1S/C16H24N4O/c21-15(19-13-9-16(13)7-2-1-3-8-16)18-12-6-4-5-11-10-17-20-14(11)12/h10,12-13H,1-9H2,(H,17,20)(H2,18,19,21)
InChIKeyAJVKOEHZAVAZJL-UHFFFAOYSA-N
XLogP2.81
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 127727149) is 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is O=C(NC1CCCc2cn[nH]c21)NC1CC12CCCCC2.
What is the InChIKey of 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is AJVKOEHZAVAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15(19-13-9-16(13)7-2-1-3-8-16)18-12-6-4-5-11-10-17-20-14(11)12/h10,12-13H,1-9H2,(H,17,20)(H2,18,19,21).
What are the key properties of 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 127727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).