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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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

C66H77Cl5N20O7S2 — CID 159967265

IUPAC1-[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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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
SMILESCC(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.NC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C14H15ClN4O.C13H15ClN4O2S.C13H17ClN4O2S.2C13H15ClN4O/c1-8(20)18-6-11-4-10(18)7-19(11)14-3-9(15)2-13-12(14)5-16-17-13;1-21(19,20)18-7-9-4-10(18)6-17(9)13-3-8(14)2-12-11(13)5-15-16-12;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-8(19)16-10-2-3-18(7-10)13-5-9(14)4-12-11(13)6-15-17-12;14-9-4-11-10(6-16-17-11)12(5-9)18-3-1-2-8(7-18)13(15)19/h2-3,5,10-11H,4,6-7H2,1H3,(H,16,17);2-3,5,9-10H,4,6-7H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);4-6,10H,2-3,7H2,1H3,(H,15,17)(H,16,19);4-6,8H,1-3,7H2,(H2,15,19)(H,16,17)/t;;9-;;/m..0../s1
InChIKeyOECAHMSCCAOWRT-DDONLTGVSA-N
MW1503.87 g/mol
LogP9.00
Rot. Bonds9

About 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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

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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 (PubChem CID 159967265) has the molecular formula C66H77Cl5N20O7S2 and a molecular weight of 1503.87 g/mol. Its IUPAC name is 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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.

Molecular Properties

Compound Name1-[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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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
PubChem CID159967265
Molecular FormulaC66H77Cl5N20O7S2
Molecular Weight1503.87 g/mol
Exact Mass1500.42
IUPAC Name1-[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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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
SMILESCC(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.NC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C14H15ClN4O.C13H15ClN4O2S.C13H17ClN4O2S.2C13H15ClN4O/c1-8(20)18-6-11-4-10(18)7-19(11)14-3-9(15)2-13-12(14)5-16-17-13;1-21(19,20)18-7-9-4-10(18)6-17(9)13-3-8(14)2-12-11(13)5-15-16-12;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-8(19)16-10-2-3-18(7-10)13-5-9(14)4-12-11(13)6-15-17-12;14-9-4-11-10(6-16-17-11)12(5-9)18-3-1-2-8(7-18)13(15)19/h2-3,5,10-11H,4,6-7H2,1H3,(H,16,17);2-3,5,9-10H,4,6-7H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);4-6,10H,2-3,7H2,1H3,(H,15,17)(H,16,19);4-6,8H,1-3,7H2,(H2,15,19)(H,16,17)/t;;9-;;/m..0../s1
InChIKeyOECAHMSCCAOWRT-DDONLTGVSA-N
XLogP9.00
TPSA326.86 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001503.87
LogP ≤ 59.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 with MolForge

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Related Compounds

4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158050837
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158105692
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 158138202
8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 158356919
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 158376020
1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(6-chloro-1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;N-(1-methylsulfonylpiperidin-4-yl)-1H-indazol-4-amine
CID 158852647
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 159044041
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 159390344
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
2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159625005
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 160070402
8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;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;2-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine
CID 160173498

Frequently Asked Questions

What is the IUPAC name of 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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?
The IUPAC name of 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 159967265) is 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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.
What is the SMILES notation for 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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?
The canonical SMILES for 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 is CC(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)C1.CS(=O)(=O)N1CC2CC1CN2c1cc(Cl)cc2[nH]ncc12.C[C@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ncc12.NC(=O)C1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.
What is the InChIKey of 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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?
The InChIKey is OECAHMSCCAOWRT-DDONLTGVSA-N. The full InChI is InChI=1S/C14H15ClN4O.C13H15ClN4O2S.C13H17ClN4O2S.2C13H15ClN4O/c1-8(20)18-6-11-4-10(18)7-19(11)14-3-9(15)2-13-12(14)5-16-17-13;1-21(19,20)18-7-9-4-10(18)6-17(9)13-3-8(14)2-12-11(13)5-15-16-12;1-9-8-17(21(2,19)20)3-4-18(9)13-6-10(14)5-12-11(13)7-15-16-12;1-8(19)16-10-2-3-18(7-10)13-5-9(14)4-12-11(13)6-15-17-12;14-9-4-11-10(6-16-17-11)12(5-9)18-3-1-2-8(7-18)13(15)19/h2-3,5,10-11H,4,6-7H2,1H3,(H,16,17);2-3,5,9-10H,4,6-7H2,1H3,(H,15,16);5-7,9H,3-4,8H2,1-2H3,(H,15,16);4-6,10H,2-3,7H2,1H3,(H,15,17)(H,16,19);4-6,8H,1-3,7H2,(H2,15,19)(H,16,17)/t;;9-;;/m..0../s1.
What are the key properties of 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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?
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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 has a molecular weight of 1503.87 g/mol, XLogP of 9.00, 9 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;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 is sourced from PubChem (CID 159967265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).