1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol

C136H111F2N19O8S — CID 160584421

IUPAC1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol
SMILESCOc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncc(NCc3ccc(N4CCC(O)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O
InChIInChI=1S/C31H29FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O.2C20H15N3O2/c1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)36-12-10-26(37)11-13-36;1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26-2)25-12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25-2)24-13-23-19;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-9,14-16,18-19,26,33,37H,10-13,17H2,1H3;2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3;2*2-12,24H,1H3
InChIKeyRCEWLENDDXNYEX-UHFFFAOYSA-N
MW2209.57 g/mol
LogP29.22
Rot. Bonds21

About 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol

1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol (PubChem CID 160584421) has the molecular formula C136H111F2N19O8S and a molecular weight of 2209.57 g/mol. Its IUPAC name is 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol
PubChem CID160584421
Molecular FormulaC136H111F2N19O8S
Molecular Weight2209.57 g/mol
Exact Mass2207.86
IUPAC Name1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol
SMILESCOc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncc(NCc3ccc(N4CCC(O)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O
InChIInChI=1S/C31H29FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O.2C20H15N3O2/c1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)36-12-10-26(37)11-13-36;1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26-2)25-12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25-2)24-13-23-19;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-9,14-16,18-19,26,33,37H,10-13,17H2,1H3;2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3;2*2-12,24H,1H3
InChIKeyRCEWLENDDXNYEX-UHFFFAOYSA-N
XLogP29.22
TPSA341.12 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.57
LogP ≤ 529.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 157407809
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;bis(4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol);1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 159378946
N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
CID 159968992
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 160183082
4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methoxy-6-methylphenol;5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-3-methoxy-2-methylphenol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline;6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 160838917
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide
CID 160970907
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline
CID 162145729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol?
The IUPAC name of 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol (CID 160584421) is 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol?
The canonical SMILES for 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol is COc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncc(NCc3ccc(N4CCC(O)CC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O.
What is the InChIKey of 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol?
The InChIKey is RCEWLENDDXNYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O.2C20H15N3O2/c1-20-14-23(4-8-28(20)32)31-27(22-5-9-29-30(15-22)38-19-35-29)16-24(18-34-31)33-17-21-2-6-25(7-3-21)36-12-10-26(37)11-13-36;1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26-2)25-12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25-2)24-13-23-19;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-9,14-16,18-19,26,33,37H,10-13,17H2,1H3;2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3;2*2-12,24H,1H3.
What are the key properties of 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol?
1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol has a molecular weight of 2209.57 g/mol, XLogP of 29.22, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]piperidin-4-ol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;4-methoxy-6-[2-(3-methylphenyl)-3-pyridinyl]quinazoline;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 160584421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).