8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one

C20H22ClN5O — CID 145076079

IUPAC8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(C2=CCCC=C2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C20H22ClN5O/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/h2,4-5,10-12,22H,1,3,6-9,13H2,(H,23,24)
InChIKeyCULKLLHSUXWCHO-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.18
Rot. Bonds2

About 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one

8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 145076079) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID145076079
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(C2=CCCC=C2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C20H22ClN5O/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/h2,4-5,10-12,22H,1,3,6-9,13H2,(H,23,24)
InChIKeyCULKLLHSUXWCHO-UHFFFAOYSA-N
XLogP3.18
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 121326774
6-chloro-4-pyrrolidin-1-yl-1H-indazole
CID 138559858
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121327101
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 121326664
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
6-chloro-4-[4-(4-methylphenyl)piperidin-1-yl]-1H-indazole;S-methylthiohydroxylamine
CID 145075688
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 145076079) is 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1N(C2=CCCC=C2)CNC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is CULKLLHSUXWCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/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/h2,4-5,10-12,22H,1,3,6-9,13H2,(H,23,24).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(6-chloro-1H-indazol-4-yl)-3-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 383.88 g/mol, XLogP of 3.18, 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-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 145076079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).