1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea

C16H20N4O2 — CID 72905707

IUPAC1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea
SMILESO=C(Nc1cccc2cn[nH]c12)NC1COC2(CCCC2)C1
InChIInChI=1S/C16H20N4O2/c21-15(18-12-8-16(22-10-12)6-1-2-7-16)19-13-5-3-4-11-9-17-20-14(11)13/h3-5,9,12H,1-2,6-8,10H2,(H,17,20)(H2,18,19,21)
InChIKeyXENTWGWNLJFOAE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.79
Rot. Bonds2

About 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea

1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea (PubChem CID 72905707) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea
PubChem CID72905707
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea
SMILESO=C(Nc1cccc2cn[nH]c12)NC1COC2(CCCC2)C1
InChIInChI=1S/C16H20N4O2/c21-15(18-12-8-16(22-10-12)6-1-2-7-16)19-13-5-3-4-11-9-17-20-14(11)13/h3-5,9,12H,1-2,6-8,10H2,(H,17,20)(H2,18,19,21)
InChIKeyXENTWGWNLJFOAE-UHFFFAOYSA-N
XLogP2.79
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea?
The IUPAC name of 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea (CID 72905707) is 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea.
What is the SMILES notation for 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea?
The canonical SMILES for 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea is O=C(Nc1cccc2cn[nH]c12)NC1COC2(CCCC2)C1.
What is the InChIKey of 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea?
The InChIKey is XENTWGWNLJFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(18-12-8-16(22-10-12)6-1-2-7-16)19-13-5-3-4-11-9-17-20-14(11)13/h3-5,9,12H,1-2,6-8,10H2,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea?
1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-7-yl)-3-(1-oxaspiro[4.4]nonan-3-yl)urea is sourced from PubChem (CID 72905707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).