7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine

C138H101ClF6N22O3S — CID 158173927

IUPAC7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccn23)cc1.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)NC(=O)CO3)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4cccc(N)c4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccncc4)ncc3c2)ccc1F.NC(N)=Nc1ccc(-c2cccnc2-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C26H20FN3O.C25H19FN4.C25H18FN3.C24H17FN4.C21H14FN3O2S.C17H13ClFN5/c1-17-14-20(7-10-24(17)27)25-23(4-3-12-28-25)19-11-13-30-21(15-19)16-29-26(30)18-5-8-22(31-2)9-6-18;1-16-12-18(7-8-23(16)26)24-22(6-3-10-28-24)17-9-11-30-21(14-17)15-29-25(30)19-4-2-5-20(27)13-19;1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18;1-16-13-19(4-5-22(16)25)23-21(3-2-9-27-23)18-8-12-29-20(14-18)15-28-24(29)17-6-10-26-11-7-17;1-11-6-13(2-4-15(11)22)20-14(8-17-21(25-20)27-9-19(26)24-17)12-3-5-16-18(7-12)28-10-23-16;18-13-8-10(3-5-14(13)19)16-12(2-1-7-22-16)11-4-6-15(23-9-11)24-17(20)21/h3-16H,1-2H3;2-15H,27H2,1H3;2-16H,1H3;2-15H,1H3;2-8,10H,9H2,1H3,(H,24,26);1-9H,(H4,20,21,23,24)
InChIKeyFXTWAJOHMFHAIF-UHFFFAOYSA-N
MW2296.98 g/mol
LogP32.01
Rot. Bonds18

About 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine (PubChem CID 158173927) has the molecular formula C138H101ClF6N22O3S and a molecular weight of 2296.98 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
PubChem CID158173927
Molecular FormulaC138H101ClF6N22O3S
Molecular Weight2296.98 g/mol
Exact Mass2294.77
IUPAC Name7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccn23)cc1.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)NC(=O)CO3)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4cccc(N)c4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccncc4)ncc3c2)ccc1F.NC(N)=Nc1ccc(-c2cccnc2-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C26H20FN3O.C25H19FN4.C25H18FN3.C24H17FN4.C21H14FN3O2S.C17H13ClFN5/c1-17-14-20(7-10-24(17)27)25-23(4-3-12-28-25)19-11-13-30-21(15-19)16-29-26(30)18-5-8-22(31-2)9-6-18;1-16-12-18(7-8-23(16)26)24-22(6-3-10-28-24)17-9-11-30-21(14-17)15-29-25(30)19-4-2-5-20(27)13-19;1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18;1-16-13-19(4-5-22(16)25)23-21(3-2-9-27-23)18-8-12-29-20(14-18)15-28-24(29)17-6-10-26-11-7-17;1-11-6-13(2-4-15(11)22)20-14(8-17-21(25-20)27-9-19(26)24-17)12-3-5-16-18(7-12)28-10-23-16;18-13-8-10(3-5-14(13)19)16-12(2-1-7-22-16)11-4-6-15(23-9-11)24-17(20)21/h3-16H,1-2H3;2-15H,27H2,1H3;2-16H,1H3;2-15H,1H3;2-8,10H,9H2,1H3,(H,24,26);1-9H,(H4,20,21,23,24)
InChIKeyFXTWAJOHMFHAIF-UHFFFAOYSA-N
XLogP32.01
TPSA323.19 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002296.98
LogP ≤ 532.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 157127507
7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 158921028
7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1-methylpyrido[2,3-b][1,4]oxazin-2-one;7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 161010208

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The IUPAC name of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine (CID 158173927) is 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine is COc1ccc(-c2ncc3cc(-c4cccnc4-c4ccc(F)c(C)c4)ccn23)cc1.Cc1cc(-c2nc3c(cc2-c2ccc4ncsc4c2)NC(=O)CO3)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4cccc(N)c4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccccc4)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(-c4ccncc4)ncc3c2)ccc1F.NC(N)=Nc1ccc(-c2cccnc2-c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
The InChIKey is FXTWAJOHMFHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O.C25H19FN4.C25H18FN3.C24H17FN4.C21H14FN3O2S.C17H13ClFN5/c1-17-14-20(7-10-24(17)27)25-23(4-3-12-28-25)19-11-13-30-21(15-19)16-29-26(30)18-5-8-22(31-2)9-6-18;1-16-12-18(7-8-23(16)26)24-22(6-3-10-28-24)17-9-11-30-21(14-17)15-29-25(30)19-4-2-5-20(27)13-19;1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18;1-16-13-19(4-5-22(16)25)23-21(3-2-9-27-23)18-8-12-29-20(14-18)15-28-24(29)17-6-10-26-11-7-17;1-11-6-13(2-4-15(11)22)20-14(8-17-21(25-20)27-9-19(26)24-17)12-3-5-16-18(7-12)28-10-23-16;18-13-8-10(3-5-14(13)19)16-12(2-1-7-22-16)11-4-6-15(23-9-11)24-17(20)21/h3-16H,1-2H3;2-15H,27H2,1H3;2-16H,1H3;2-15H,1H3;2-8,10H,9H2,1H3,(H,24,26);1-9H,(H4,20,21,23,24).
What are the key properties of 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine?
7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine has a molecular weight of 2296.98 g/mol, XLogP of 32.01, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;2-[5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-pyridinyl]guanidine;3-[7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]aniline;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-phenylimidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyridin-4-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 158173927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).