N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C66H72Cl3F3N18O3S — CID 159485810

IUPACN-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(=O)Nc1ccc2c(c1)CCN(c1cc(Cl)cc3[nH]ncc13)C2.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.Cc1nc2c(n1C)CN(c1cc(C(F)(F)F)cc3[nH]ncc13)CC2.Cc1nc2c(n1C)CN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C18H17ClN4O.C17H23ClN4O2S.C16H16F3N5.C15H16ClN5/c1-11(24)21-15-3-2-13-10-23(5-4-12(13)6-15)18-8-14(19)7-17-16(18)9-20-22-17;1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15;1-9-21-12-3-4-24(8-15(12)23(9)2)14-6-10(16(17,18)19)5-13-11(14)7-20-22-13;1-9-18-12-3-4-21(8-15(12)20(9)2)14-6-10(16)5-13-11(14)7-17-19-13/h2-3,6-9H,4-5,10H2,1H3,(H,20,22)(H,21,24);10-12H,2-9H2,1H3,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,20,22);5-7H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyLXOHBRDUGPVWOA-UHFFFAOYSA-N
MW1360.84 g/mol
LogP12.60
Rot. Bonds6

About N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine

N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 159485810) has the molecular formula C66H72Cl3F3N18O3S and a molecular weight of 1360.84 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID159485810
Molecular FormulaC66H72Cl3F3N18O3S
Molecular Weight1360.84 g/mol
Exact Mass1358.48
IUPAC NameN-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(=O)Nc1ccc2c(c1)CCN(c1cc(Cl)cc3[nH]ncc13)C2.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.Cc1nc2c(n1C)CN(c1cc(C(F)(F)F)cc3[nH]ncc13)CC2.Cc1nc2c(n1C)CN(c1cc(Cl)cc3[nH]ncc13)CC2
InChIInChI=1S/C18H17ClN4O.C17H23ClN4O2S.C16H16F3N5.C15H16ClN5/c1-11(24)21-15-3-2-13-10-23(5-4-12(13)6-15)18-8-14(19)7-17-16(18)9-20-22-17;1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15;1-9-21-12-3-4-24(8-15(12)23(9)2)14-6-10(16(17,18)19)5-13-11(14)7-20-22-13;1-9-18-12-3-4-21(8-15(12)20(9)2)14-6-10(16)5-13-11(14)7-17-19-13/h2-3,6-9H,4-5,10H2,1H3,(H,20,22)(H,21,24);10-12H,2-9H2,1H3,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,20,22);5-7H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyLXOHBRDUGPVWOA-UHFFFAOYSA-N
XLogP12.60
TPSA229.80 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001360.84
LogP ≤ 512.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

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;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]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 157995508
6-chloro-4-cyclohexyl-1H-indazole;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 158166387
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;5-(6-chloro-1H-indazol-4-yl)-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;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]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 158202945
5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;3-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 159624315
N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159651412
N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;6-chloro-4-(4-pyrazol-1-ylpiperidin-1-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159838592
4-tert-butyl-1-[(4-imidazol-1-ylphenyl)methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]piperidine;N-[5-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-2-chlorophenyl]acetamide;N-[3-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]-5-fluorophenyl]methanesulfonamide;4-tert-butyl-4-(isocyanomethyl)-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-[1-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl]piperidine
CID 161456155
1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone;N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-(6-chloro-1H-indazol-4-yl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 161698348
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;5-(6-chloro-1H-indazol-4-yl)-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;2-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 161715984
5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 162014034
N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-ethyl-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylpiperazine-1-carboxamide;bis(N-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide);N-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]acetamide
CID 162183242
3-chloro-5-fluoro-4-propan-2-ylpyridine;3-chloro-5-methyl-4-propan-2-ylpyridine;3,5-dichloro-4-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one;4,6-dimethyl-5-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazole;1-(2-methylpropyl)-4-propan-2-ylindazole;6-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;2,4,6-trimethyl-3-propan-2-ylpyridine;2,4,6-trimethyl-5-propan-2-ylpyrimidine
CID 157604574

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 159485810) is N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(=O)Nc1ccc2c(c1)CCN(c1cc(Cl)cc3[nH]ncc13)C2.CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.Cc1nc2c(n1C)CN(c1cc(C(F)(F)F)cc3[nH]ncc13)CC2.Cc1nc2c(n1C)CN(c1cc(Cl)cc3[nH]ncc13)CC2.
What is the InChIKey of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is LXOHBRDUGPVWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O.C17H23ClN4O2S.C16H16F3N5.C15H16ClN5/c1-11(24)21-15-3-2-13-10-23(5-4-12(13)6-15)18-8-14(19)7-17-16(18)9-20-22-17;1-25(23,24)22-8-4-17(5-9-22)2-6-21(7-3-17)16-11-13(18)10-15-14(16)12-19-20-15;1-9-21-12-3-4-24(8-15(12)23(9)2)14-6-10(16(17,18)19)5-13-11(14)7-20-22-13;1-9-18-12-3-4-21(8-15(12)20(9)2)14-6-10(16)5-13-11(14)7-17-19-13/h2-3,6-9H,4-5,10H2,1H3,(H,20,22)(H,21,24);10-12H,2-9H2,1H3,(H,19,20);5-7H,3-4,8H2,1-2H3,(H,20,22);5-7H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 1360.84 g/mol, XLogP of 12.60, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;9-(6-chloro-1H-indazol-4-yl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 159485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).