8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C20H20ClN5O — CID 121326774

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(c2ccccc2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C20H20ClN5O/c21-14-10-17-16(12-23-24-17)18(11-14)25-8-6-20(7-9-25)19(27)26(13-22-20)15-4-2-1-3-5-15/h1-5,10-12,22H,6-9,13H2,(H,23,24)
InChIKeyILGPDENMMKJGOJ-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.15
Rot. Bonds2

About 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 121326774) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID121326774
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(c2ccccc2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C20H20ClN5O/c21-14-10-17-16(12-23-24-17)18(11-14)25-8-6-20(7-9-25)19(27)26(13-22-20)15-4-2-1-3-5-15/h1-5,10-12,22H,6-9,13H2,(H,23,24)
InChIKeyILGPDENMMKJGOJ-UHFFFAOYSA-N
XLogP3.15
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 121326774) is 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1N(c2ccccc2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ILGPDENMMKJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-14-10-17-16(12-23-24-17)18(11-14)25-8-6-20(7-9-25)19(27)26(13-22-20)15-4-2-1-3-5-15/h1-5,10-12,22H,6-9,13H2,(H,23,24).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 381.87 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 121326774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).