5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one

C129H100F2N20O2S — CID 159700329

IUPAC5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
SMILESCCc1ncc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)[nH]1.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c(=O)c3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1
InChIInChI=1S/C25H22FN5S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3O.C20H15N3/c1-3-24-28-13-19(31-24)12-27-18-10-20(16-5-7-22-23(9-16)32-14-30-22)25(29-11-18)17-4-6-21(26)15(2)8-17;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-13-4-2-5-15(10-13)19-16(6-3-9-21-19)14-7-8-18-17(11-14)20(24)23-12-22-18;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h4-11,13-14,27H,3,12H2,1-2H3,(H,28,31);1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-12H,1H3,(H,22,23,24);2-13H,1H3
InChIKeyMXNPXCDKPVCIHK-UHFFFAOYSA-N
MW2032.42 g/mol
LogP29.57
Rot. Bonds18

About 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one

5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one (PubChem CID 159700329) has the molecular formula C129H100F2N20O2S and a molecular weight of 2032.42 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
PubChem CID159700329
Molecular FormulaC129H100F2N20O2S
Molecular Weight2032.42 g/mol
Exact Mass2030.80
IUPAC Name5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
SMILESCCc1ncc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)[nH]1.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c(=O)c3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1
InChIInChI=1S/C25H22FN5S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3O.C20H15N3/c1-3-24-28-13-19(31-24)12-27-18-10-20(16-5-7-22-23(9-16)32-14-30-22)25(29-11-18)17-4-6-21(26)15(2)8-17;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-13-4-2-5-15(10-13)19-16(6-3-9-21-19)14-7-8-18-17(11-14)20(24)23-12-22-18;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h4-11,13-14,27H,3,12H2,1-2H3,(H,28,31);1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-12H,1H3,(H,22,23,24);2-13H,1H3
InChIKeyMXNPXCDKPVCIHK-UHFFFAOYSA-N
XLogP29.57
TPSA299.78 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.42
LogP ≤ 529.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one (CID 159700329) is 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one is CCc1ncc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)[nH]1.Cc1cc(-c2ncccc2-c2ccc3ncncc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3nc[nH]c(=O)c3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncncc3c2)c1.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncncc3c2)cc(C2CC2)c1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one?
The InChIKey is MXNPXCDKPVCIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5S.C22H17N3O.C22H17N3.C20H14FN3.C20H15N3O.C20H15N3/c1-3-24-28-13-19(31-24)12-27-18-10-20(16-5-7-22-23(9-16)32-14-30-22)25(29-11-18)17-4-6-21(26)15(2)8-17;26-22-19-12-16(8-9-20(19)24-13-25-22)18-5-2-10-23-21(18)17-4-1-3-15(11-17)14-6-7-14;1-3-16(15-6-7-15)11-18(4-1)22-20(5-2-10-24-22)17-8-9-21-19(12-17)13-23-14-25-21;1-13-9-15(4-6-18(13)21)20-17(3-2-8-23-20)14-5-7-19-16(10-14)11-22-12-24-19;1-13-4-2-5-15(10-13)19-16(6-3-9-21-19)14-7-8-18-17(11-14)20(24)23-12-22-18;1-14-4-2-5-16(10-14)20-18(6-3-9-22-20)15-7-8-19-17(11-15)12-21-13-23-19/h4-11,13-14,27H,3,12H2,1-2H3,(H,28,31);1-5,8-14H,6-7H2,(H,24,25,26);1-5,8-15H,6-7H2;2-12H,1H3;2-12H,1H3,(H,22,23,24);2-13H,1H3.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one?
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one has a molecular weight of 2032.42 g/mol, XLogP of 29.57, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;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;6-[2-(3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 159700329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).