1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C122H121F2N15O — CID 159441617

IUPAC1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(-c2ccc(F)cc2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3cnn(C)c3c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2F)c1.Cc1ccnc(-c2ccc3c(cnn3C)c2)c1.Cc1ccnc(-c2ccc3cnn(C)c3c2)c1.Cc1ccnc(N2CCN(C(C)C)CC2)n1.Cc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/2C15H14N2.2C14H13N3.2C13H11F.C13H13NO.C13H12.C12H20N4/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-11-4-3-5-12(8-11)13-6-7-14-10-16-17(2)15(14)9-13;1-10-5-6-15-13(7-10)11-3-4-14-12(8-11)9-16-17(14)2;1-10-5-6-15-13(7-10)11-3-4-12-9-16-17(2)14(12)8-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14;1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-11-7-8-14-13(9-11)15-10-12-5-3-2-4-6-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10(2)15-6-8-16(9-7-15)12-13-5-4-11(3)14-12/h2*3-10H,1-2H3;2*3-9H,1-2H3;2*2-9H,1H3;2-9H,10H2,1H3;2-10H,1H3;4-5,10H,6-9H2,1-3H3
InChIKeyLSFZWQFOWMSREE-UHFFFAOYSA-N
MW1851.41 g/mol
LogP28.53
Rot. Bonds12

About 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 159441617) has the molecular formula C122H121F2N15O and a molecular weight of 1851.41 g/mol. Its IUPAC name is 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID159441617
Molecular FormulaC122H121F2N15O
Molecular Weight1851.41 g/mol
Exact Mass1849.98
IUPAC Name1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cccc(-c2ccc(F)cc2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3cnn(C)c3c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2F)c1.Cc1ccnc(-c2ccc3c(cnn3C)c2)c1.Cc1ccnc(-c2ccc3cnn(C)c3c2)c1.Cc1ccnc(N2CCN(C(C)C)CC2)n1.Cc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/2C15H14N2.2C14H13N3.2C13H11F.C13H13NO.C13H12.C12H20N4/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-11-4-3-5-12(8-11)13-6-7-14-10-16-17(2)15(14)9-13;1-10-5-6-15-13(7-10)11-3-4-14-12(8-11)9-16-17(14)2;1-10-5-6-15-13(7-10)11-3-4-12-9-16-17(2)14(12)8-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14;1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-11-7-8-14-13(9-11)15-10-12-5-3-2-4-6-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10(2)15-6-8-16(9-7-15)12-13-5-4-11(3)14-12/h2*3-10H,1-2H3;2*3-9H,1-2H3;2*2-9H,1H3;2-9H,10H2,1H3;2-10H,1H3;4-5,10H,6-9H2,1-3H3
InChIKeyLSFZWQFOWMSREE-UHFFFAOYSA-N
XLogP28.53
TPSA151.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.41
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine with MolForge

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Related Compounds

4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
4-[4-[5-[2-[4-Fluoro-2-[1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124036207
N-[[5-[1-[1-[2-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137088523
4-[4-[5-[2-[4-fluoro-2-[(1S)-1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 144831642
1-[9-[(E)-4-[6-(1-aminoethenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-8-[[4-(trifluoromethyl)phenyl]methoxy]pyrimido[4,5-b]indol-9-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indol-6-yl]ethenamine
CID 156332006
6-methyl-2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;tris(platinum(2+))
CID 157071401
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
3,6-diphenyl-2-[3-phenyl-5-[(4-phenyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157349374
2-[3-[(3-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-methylbenzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157966291
1-[1-cyclohexyl-3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158392933
9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
CID 158516879
2-Benzyl-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;1-butyl-2-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;5-(1,1-difluoroethyl)-1-methyl-6-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;1-methyl-6-[3-(3-methyl-4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indole;2-phenoxy-3-(4-pyridin-4-ylpiperazin-1-yl)pyrazine;3-[5-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]indol-1-yl]propanenitrile
CID 158706826

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 159441617) is 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is Cc1cccc(-c2ccc(F)cc2)c1.Cc1cccc(-c2ccc3c(cnn3C)c2)c1.Cc1cccc(-c2ccc3cnn(C)c3c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(-c2ccccc2F)c1.Cc1ccnc(-c2ccc3c(cnn3C)c2)c1.Cc1ccnc(-c2ccc3cnn(C)c3c2)c1.Cc1ccnc(N2CCN(C(C)C)CC2)n1.Cc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is LSFZWQFOWMSREE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2.2C14H13N3.2C13H11F.C13H13NO.C13H12.C12H20N4/c1-11-4-3-5-12(8-11)13-6-7-15-14(9-13)10-16-17(15)2;1-11-4-3-5-12(8-11)13-6-7-14-10-16-17(2)15(14)9-13;1-10-5-6-15-13(7-10)11-3-4-14-12(8-11)9-16-17(14)2;1-10-5-6-15-13(7-10)11-3-4-12-9-16-17(2)14(12)8-11;1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14;1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11;1-11-7-8-14-13(9-11)15-10-12-5-3-2-4-6-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10(2)15-6-8-16(9-7-15)12-13-5-4-11(3)14-12/h2*3-10H,1-2H3;2*3-9H,1-2H3;2*2-9H,1H3;2-9H,10H2,1H3;2-10H,1H3;4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 1851.41 g/mol, XLogP of 28.53, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-methylphenyl)benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-5-(3-methylphenyl)indazole;1-methyl-6-(3-methylphenyl)indazole;1-methyl-5-(4-methyl-2-pyridinyl)indazole;1-methyl-6-(4-methyl-2-pyridinyl)indazole;1-methyl-3-phenylbenzene;4-methyl-2-phenylmethoxypyridine;4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 159441617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).