bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine

C225H217Cl2F14N49O6S2 — CID 159672532

IUPACbis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
SMILESC#CNCCc1ccncc1.C1=c2ccccc2=CC1.CC(F)(F)c1ccccn1.CC(F)(F)c1cccnc1.CC(F)(F)c1ccn[nH]1.CN(C)c1ncccn1.COc1cccc(OC)n1.Cc1cncc(Cl)c1.Cc1ncccc1F.Clc1cccnc1.FC(F)(F)c1ccncc1.Fc1cccnc1.Fc1cccnc1F.Fc1ccncc1.c1ccc(N2CCCCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2nccn2c1.c1cnc2occc2c1.c1cncc(N2CCCCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1
InChIInChI=1S/2C10H14N2.C9H10N2.C9H8.2C8H7N.C8H6O.2C7H7F2N.C7H10N2S.4C7H6N2.C7H9NO2.3C7H5NO.C7H5NS.C6H6ClN.C6H4F3N.C6H6FN.2C6H5N3.C6H9N3.C5H4ClN.C5H6F2N2.C5H3F2N.2C5H4FN.2C5H5N.2C4H4N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-10-6-3-9-4-7-11-8-5-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-7(8,9)6-4-2-3-5-10-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-9-6-4-3-5-7(8-6)10-2;1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-5-2-6(7)4-8-3-5;7-6(8,9)5-1-3-10-4-2-5;1-5-6(7)3-2-4-8-5;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;6-5-2-1-3-7-4-5;1-5(6,7)4-2-3-8-9-4;6-4-2-1-3-8-5(4)7;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h2-3,6-7H,1,4-5,8-9H2;4-6,9H,1-3,7-8H2;1,4-5,7-8,10H,3,6H2;1-2,4-7H,3H2;2*1-6,9H;1-6H;2*2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-5H,(H,8,9);3-5H,1-2H3;4*1-5H;2-4H,1H3;1-4H;2-4H,1H3;2*1-5H;3-5H,1-2H3;1-4H;2-3H,1H3,(H,8,9);1-3H;2*1-4H;2*1-5H;2*1-4H
InChIKeyMUEHXZCNVVUGMP-UHFFFAOYSA-N
MW4104.56 g/mol
LogP51.25
Rot. Bonds12

About bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine

bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine (PubChem CID 159672532) has the molecular formula C225H217Cl2F14N49O6S2 and a molecular weight of 4104.56 g/mol. Its IUPAC name is bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
PubChem CID159672532
Molecular FormulaC225H217Cl2F14N49O6S2
Molecular Weight4104.56 g/mol
Exact Mass4100.68
IUPAC Namebis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
SMILESC#CNCCc1ccncc1.C1=c2ccccc2=CC1.CC(F)(F)c1ccccn1.CC(F)(F)c1cccnc1.CC(F)(F)c1ccn[nH]1.CN(C)c1ncccn1.COc1cccc(OC)n1.Cc1cncc(Cl)c1.Cc1ncccc1F.Clc1cccnc1.FC(F)(F)c1ccncc1.Fc1cccnc1.Fc1cccnc1F.Fc1ccncc1.c1ccc(N2CCCCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2nccn2c1.c1cnc2occc2c1.c1cncc(N2CCCCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1
InChIInChI=1S/2C10H14N2.C9H10N2.C9H8.2C8H7N.C8H6O.2C7H7F2N.C7H10N2S.4C7H6N2.C7H9NO2.3C7H5NO.C7H5NS.C6H6ClN.C6H4F3N.C6H6FN.2C6H5N3.C6H9N3.C5H4ClN.C5H6F2N2.C5H3F2N.2C5H4FN.2C5H5N.2C4H4N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-10-6-3-9-4-7-11-8-5-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-7(8,9)6-4-2-3-5-10-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-9-6-4-3-5-7(8-6)10-2;1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-5-2-6(7)4-8-3-5;7-6(8,9)5-1-3-10-4-2-5;1-5-6(7)3-2-4-8-5;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;6-5-2-1-3-7-4-5;1-5(6,7)4-2-3-8-9-4;6-4-2-1-3-8-5(4)7;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h2-3,6-7H,1,4-5,8-9H2;4-6,9H,1-3,7-8H2;1,4-5,7-8,10H,3,6H2;1-2,4-7H,3H2;2*1-6,9H;1-6H;2*2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-5H,(H,8,9);3-5H,1-2H3;4*1-5H;2-4H,1H3;1-4H;2-4H,1H3;2*1-5H;3-5H,1-2H3;1-4H;2-3H,1H3,(H,8,9);1-3H;2*1-4H;2*1-5H;2*1-4H
InChIKeyMUEHXZCNVVUGMP-UHFFFAOYSA-N
XLogP51.25
TPSA655.13 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds12
Heavy Atoms298
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004104.56
LogP ≤ 551.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine?
The IUPAC name of bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine (CID 159672532) is bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine?
The canonical SMILES for bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine is C#CNCCc1ccncc1.C1=c2ccccc2=CC1.CC(F)(F)c1ccccn1.CC(F)(F)c1cccnc1.CC(F)(F)c1ccn[nH]1.CN(C)c1ncccn1.COc1cccc(OC)n1.Cc1cncc(Cl)c1.Cc1ncccc1F.Clc1cccnc1.FC(F)(F)c1ccncc1.Fc1cccnc1.Fc1cccnc1F.Fc1ccncc1.c1ccc(N2CCCCC2)nc1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnc2cc[nH]c2c1.c1cnc2nccn2c1.c1cnc2occc2c1.c1cncc(N2CCCCC2)c1.c1cnccn1.c1cncnc1.c1csc(N2CCCC2)n1.
What is the InChIKey of bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine?
The InChIKey is MUEHXZCNVVUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2.C9H10N2.C9H8.2C8H7N.C8H6O.2C7H7F2N.C7H10N2S.4C7H6N2.C7H9NO2.3C7H5NO.C7H5NS.C6H6ClN.C6H4F3N.C6H6FN.2C6H5N3.C6H9N3.C5H4ClN.C5H6F2N2.C5H3F2N.2C5H4FN.2C5H5N.2C4H4N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-2-10-6-3-9-4-7-11-8-5-9;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-8-7(3-1)5-6-9-8;1-7(8,9)6-3-2-4-10-5-6;1-7(8,9)6-4-2-3-5-10-6;1-2-5-9(4-1)7-8-3-6-10-7;1-2-6-7(8-4-1)3-5-9-6;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-9-6-4-3-5-7(8-6)10-2;1-2-6-3-5-9-7(6)8-4-1;3*1-2-4-7-6(3-1)8-5-9-7;1-5-2-6(7)4-8-3-5;7-6(8,9)5-1-3-10-4-2-5;1-5-6(7)3-2-4-8-5;1-2-7-6-8-3-5-9(6)4-1;1-2-4-9-6(3-1)7-5-8-9;1-9(2)6-7-4-3-5-8-6;6-5-2-1-3-7-4-5;1-5(6,7)4-2-3-8-9-4;6-4-2-1-3-8-5(4)7;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1/h2-3,6-7H,1,4-5,8-9H2;4-6,9H,1-3,7-8H2;1,4-5,7-8,10H,3,6H2;1-2,4-7H,3H2;2*1-6,9H;1-6H;2*2-5H,1H3;3,6H,1-2,4-5H2;1-5,9H;1-6H;2*1-5H,(H,8,9);3-5H,1-2H3;4*1-5H;2-4H,1H3;1-4H;2-4H,1H3;2*1-5H;3-5H,1-2H3;1-4H;2-3H,1H3,(H,8,9);1-3H;2*1-4H;2*1-5H;2*1-4H.
What are the key properties of bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine?
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 4104.56 g/mol, XLogP of 51.25, 12 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159672532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).