2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one

C178H217ClF7N27O13 — CID 157358332

IUPAC2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C
InChIInChI=1S/2C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7/h2*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10)
InChIKeyBIISNWSTWLJFMV-UHFFFAOYSA-N
MW3111.31 g/mol
LogP40.44
Rot. Bonds23

About 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one

2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 157358332) has the molecular formula C178H217ClF7N27O13 and a molecular weight of 3111.31 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
PubChem CID157358332
Molecular FormulaC178H217ClF7N27O13
Molecular Weight3111.31 g/mol
Exact Mass3108.67
IUPAC Name2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C
InChIInChI=1S/2C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7/h2*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10)
InChIKeyBIISNWSTWLJFMV-UHFFFAOYSA-N
XLogP40.44
TPSA688.79 Ų
H-Bond Donors19
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003111.31
LogP ≤ 540.44
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157227069
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(oxetan-3-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 157623528
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 157781784
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158143448
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-indazol-2-ium-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole
CID 159297897
6-fluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6-fluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine;N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1,2-benzoxazol-3-amine;N-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)-1,2-benzoxazol-3-amine;N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 160874523
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 161332020
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-phenyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-[2-(1H-indazol-5-yl)ethynyl]-6-methyl-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[(3-phenylphenyl)methyl]-1,2-benzoxazole
CID 161401904
4-tert-butyl-3-chloro-5-methyl-1,2-benzoxazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1,6-dimethylbenzotriazole;7-tert-butyl-3,6-dimethyl-1,2-benzoxazole;4-tert-butyl-2,5-dimethylindazole;7-tert-butyl-1,6-dimethylindazole;7-tert-butyl-2,6-dimethylindazole;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;7-tert-butyl-1-ethyl-6-methylindazole;7-tert-butyl-6-fluoro-1-methylindazole;bis(4-tert-butyl-5-methyl-2H-benzotriazole);4-tert-butyl-5-methyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-5-methyl-1,2-dihydroindazol-3-one;7-tert-butyl-6-methyl-1,2-dihydroindazol-3-one;4-tert-butyl-3-methyl-2H-indazole;N-(4-tert-butyl-5-methyl-1H-indazol-3-yl)acetamide;4-tert-butyl-3-(trifluoromethyl)-2H-indazole
CID 161929800
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164986662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one (CID 157358332) is 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1cc(=O)[nH]c2ccccc12.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(=O)[nH]cc1F.CC(C)c1cc(C(N)=O)cnc1F.CC(C)c1cc2[nH]cnc2cc1F.CC(C)c1cc2c(N)n[nH]c2cc1F.CC(C)c1cc2c(N)noc2cc1F.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2nc(Cl)[nH]c2c1.CC(C)c1ccc2onc(N)c2c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1nc(C2CC2)ccc1F.CC(C)c1nc2ccccc2[nH]c1=O.Cc1c[nH]c(=O)cc1C(C)C.
What is the InChIKey of 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is BIISNWSTWLJFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO.C11H14FN.C11H12N2O.C10H11ClN2.C10H12FN3.C10H11FN2O.C10H11FN2.2C10H12N2O.2C10H13NO.C10H15N.C9H11FN2O.C9H13NO.2C8H10FNO.C8H11NO/c1-8(2)10-7-12(14)13-11-6-4-3-5-9(10)11;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)11-9(12)5-6-10(13-11)8-3-4-8;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;1-5(2)6-3-7-9(4-8(6)11)13-14-10(7)12;1-5(2)6-3-7-9(4-8(6)11)14-13-10(7)12;1-6(2)7-3-9-10(4-8(7)11)13-5-12-9;1-6(2)7-3-4-9-8(5-7)10(11)12-13-9;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)7-3-6(9(11)13)4-12-8(7)10;1-6(2)8-4-9(11)10-5-7(8)3;2*1-5(2)6-3-8(11)10-4-7(6)9;1-6(2)7-3-4-9-8(10)5-7/h2*3-8H,1-2H3,(H,13,14);5-8H,3-4H2,1-2H3;3-7H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H3,12,13,14);3-5H,1-2H3,(H2,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,11,13);4-6H,1-3H3,(H,10,11);2*3-5H,1-2H3,(H,10,11);3-6H,1-2H3,(H,9,10).
What are the key properties of 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one?
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 3111.31 g/mol, XLogP of 40.44, 23 rotatable bonds, 19 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 157358332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).