8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C16H19ClN4O — CID 121326022

IUPAC8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O
InChIInChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyPZGGTEQVJAUBJE-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.66
Rot. Bonds1

About 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 121326022) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID121326022
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O
InChIInChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyPZGGTEQVJAUBJE-UHFFFAOYSA-N
XLogP2.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(3-chlorophenyl)-N-(1H-indazol-6-yl)-3-oxopyrazolidine-4-carboxamide
CID 177381790
Indazole derivative 3
CID 121326772
3-(4-chlorophenyl)-5-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 45180032
(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazatricyclo[3.2.2.11,5]decan-7-one
CID 163658872
(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
CID 164636885
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121326858
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-3-fluoropropan-1-one
CID 145746873
6-chloro-5-[3-[4-(2H-indazol-3-yl)piperidin-1-yl]propyl]-3,3-dimethyl-1H-indol-2-one
CID 91317218
8-(6-chloro-1H-indazol-4-yl)-3-(2,2-difluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 159969076
3-(4-chlorophenyl)-5-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 42456760
8-[(4-chloro-1-methyl-1H-indazol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50976072

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 121326022) is 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PZGGTEQVJAUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13/h6-7,9H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 318.81 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 121326022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).