1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

C212H191ClF3N41O5S3 — CID 158429801

About 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (PubChem CID 158429801) has the molecular formula C212H191ClF3N41O5S3 and a molecular weight of 3581.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
• PubChem CID: 158429801
• Molecular Formula: C212H191ClF3N41O5S3
• Molecular Weight: 3581.79 g/mol
• Exact Mass: 3578.48
• IUPAC Name: 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine
• SMILES: C1=NC(c2ccccn2)=CC1.C1=NC(c2ccncc2)=CC1.COc1ccc(-c2cccs2)cc1.COc1cccc(-n2cccn2)c1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1cccc(-n2cccn2)c1.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1cccc(-c2nccs2)c1.c1cc2c3c(cccc3c1)CNC2.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2c(c1)CCN2.c1cnc2c(c1)CNCC2.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2ncno2)c1
• InChI: InChI=1S/C12H11N.C11H7F2N.C11H10OS.C10H10N2O.5C10H10N2.C10H8N2.C9H7ClN2.C9H6FNS.C9H8N2O.3C9H8N2.C9H9N.C8H7N3.C8H6N2O.C8H10N2.C8H9N.C7H5N3O.C6H4N2S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-12-10-6-4-9(5-7-10)11-3-2-8-13-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-9(11-5-1)8-3-6-10-7-4-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-9(5-3-1)11-7-6-10-8-11;1-10-7-6-8-4-2-3-5-9(8)10;1-2-7(4-9-3-1)8-5-10-6-11-8;1-2-7(6-9-4-1)8-3-5-11-10-8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6(4-8-3-1)7-9-5-10-11-7;1-4-9-6-5(1)7-2-3-8-6/h1-6,13H,7-8H2;1-7H;2*2-8H,1H3;5*2-8H,1H3;1-8H;1-7H;1-6H;2-6H,1H3;2-7H,1H2;1-2,4-7H,3H2;1-8H;2-7H,1H3;1-6H,(H,10,11);1-6H;1-2,4,9H,3,5-6H2;1-4,9H,5-6H2;1-5H;1-4H
• InChIKey: HBMZZLYYOULBSI-UHFFFAOYSA-N
• XLogP: 47.60
• TPSA: 513.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 20
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3581.79
LogP ≤ 5	47.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The IUPAC name of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine (CID 158429801) is 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine.

What is the SMILES notation for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The canonical SMILES for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is C1=NC(c2ccccn2)=CC1.C1=NC(c2ccncc2)=CC1.COc1ccc(-c2cccs2)cc1.COc1cccc(-n2cccn2)c1.Cc1ccc(-n2cccn2)cc1.Cc1ccc(-n2ccnc2)cc1.Cc1cccc(-n2cccn2)c1.Cc1ccnn1-c1ccccc1.Cc1cnn(-c2ccccc2)c1.Cc1nc(-c2ccccc2)no1.Clc1cccc(-n2cccn2)c1.Cn1ccc2ccccc21.Fc1ccc(-c2ccccn2)cc1F.Fc1cccc(-c2nccs2)c1.c1cc2c3c(cccc3c1)CNC2.c1ccc(-c2ncccn2)cc1.c1ccc(-n2ccnc2)cc1.c1ccc2c(c1)CCN2.c1cnc2c(c1)CNCC2.c1cnc2sccc2n1.c1cncc(-c2ccon2)c1.c1cncc(-c2cnc[nH]2)c1.c1cncc(-c2ncno2)c1.

What is the InChIKey of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

The InChIKey is HBMZZLYYOULBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C11H7F2N.C11H10OS.C10H10N2O.5C10H10N2.C10H8N2.C9H7ClN2.C9H6FNS.C9H8N2O.3C9H8N2.C9H9N.C8H7N3.C8H6N2O.C8H10N2.C8H9N.C7H5N3O.C6H4N2S/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-12-10-6-4-9(5-7-10)11-3-2-8-13-11;1-13-10-5-2-4-9(8-10)12-7-3-6-11-12;1-9-3-5-10(6-4-9)12-8-2-7-11-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-9-7-8-11-12(9)10-5-3-2-4-6-10;1-2-5-9(6-3-1)10-11-7-4-8-12-10;10-8-3-1-4-9(7-8)12-6-2-5-11-12;10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-2-9(11-5-1)8-3-6-10-7-4-8;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-9(5-3-1)11-7-6-10-8-11;1-10-7-6-8-4-2-3-5-9(8)10;1-2-7(4-9-3-1)8-5-10-6-11-8;1-2-7(6-9-4-1)8-3-5-11-10-8;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6(4-8-3-1)7-9-5-10-11-7;1-4-9-6-5(1)7-2-3-8-6/h1-6,13H,7-8H2;1-7H;2*2-8H,1H3;5*2-8H,1H3;1-8H;1-7H;1-6H;2-6H,1H3;2-7H,1H2;1-2,4-7H,3H2;1-8H;2-7H,1H3;1-6H,(H,10,11);1-6H;1-2,4,9H,3,5-6H2;1-4,9H,5-6H2;1-5H;1-4H.

What are the key properties of 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine?

1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine has a molecular weight of 3581.79 g/mol, XLogP of 47.60, 20 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;2-(3-fluorophenyl)-1,3-thiazole;3-(1H-imidazol-5-yl)pyridine;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)thiophene;1-methylindole;1-(4-methylphenyl)imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine is sourced from PubChem (CID 158429801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).