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

C45H55Cl3N12O3 — CID 158962807

IUPAC8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1
InChIInChI=1S/C16H21ClN4O.C15H17ClN4O.C14H17ClN4O/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMVHLQPFTIAPTF-UHFFFAOYSA-N
MW918.37 g/mol
LogP7.51
Rot. Bonds6

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

8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 158962807) has the molecular formula C45H55Cl3N12O3 and a molecular weight of 918.37 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID158962807
Molecular FormulaC45H55Cl3N12O3
Molecular Weight918.37 g/mol
Exact Mass916.36
IUPAC Name8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1
InChIInChI=1S/C16H21ClN4O.C15H17ClN4O.C14H17ClN4O/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMVHLQPFTIAPTF-UHFFFAOYSA-N
XLogP7.51
TPSA165.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.37
LogP ≤ 57.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide with MolForge

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Related Compounds

1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 159480763
8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 121326022
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 121326220
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157092304
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]methanesulfonamide;1-[5-(6-chloro-1H-indazol-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone;1-(6-chloro-1H-indazol-4-yl)piperidine-3-carboxamide;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1H-indazole
CID 157416682
3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 157594219
4-(6-chloro-1H-indazol-4-yl)piperazine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 157792385
N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 157831103
N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 157889831
1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;1-[9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;6-chloro-4-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-1H-indazole
CID 158046975
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(oxan-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 158260213
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone;N-[1-(6-chloro-1H-indol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;6-chloro-4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 158303164

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide (CID 158962807) is 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CC(=O)N(C)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CN1.
What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JMVHLQPFTIAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O.C15H17ClN4O.C14H17ClN4O/c1-11(22)20(2)10-12-3-5-21(6-4-12)16-8-13(17)7-15-14(16)9-18-19-15;16-10-5-12-11(8-18-19-12)13(6-10)20-3-1-15(2-4-20)7-14(21)17-9-15;1-9(20)18(2)11-3-4-19(8-11)14-6-10(15)5-13-12(14)7-16-17-13/h7-9,12H,3-6,10H2,1-2H3,(H,18,19);5-6,8H,1-4,7,9H2,(H,17,21)(H,18,19);5-7,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide?
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 918.37 g/mol, XLogP of 7.51, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 158962807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).