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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Related Compounds

1-{[4-(azepan-1-yl)-2-chlorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749244
1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 49803625
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-chlorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749352
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-chlorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749354
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162654677
1-[[1-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162661447
1-[[3-tert-butyl-1-(3-chloro-4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162672278
1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4-chlorophenyl)ethanone
CID 16662100
1-(1-Acetylindazol-4-yl)-3-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]urea
CID 162668074
4-(2,3-dichlorophenyl)-N-(1H-indazol-6-yl)piperazine-1-carboxamide
CID 168269478
4-(2-chlorophenyl)-N-(1H-indazol-6-yl)piperazine-1-carboxamide
CID 168283548
4-(2,3-dichlorophenyl)-N-(1H-indazol-4-yl)piperazine-1-carboxamide
CID 168284016

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).