2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone

C82H82F4N18O5S3 — CID 161046054

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone (PubChem CID 161046054) has the molecular formula C82H82F4N18O5S3 and a molecular weight of 1571.87 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone
• PubChem CID: 161046054
• Molecular Formula: C82H82F4N18O5S3
• Molecular Weight: 1571.87 g/mol
• Exact Mass: 1570.58
• IUPAC Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone
• SMILES: CN(C)Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.CN1CCc2sc(C(=O)Cc3nc(-c4ccco4)ccc3N)nc2C1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)c1nc2c(s1)CCN(CCF)C2.Nc1ccc(-c2cccnc2)nc1CC(=O)c1nc2c(s1)CCN(CCF)C2
• InChI: InChI=1S/C23H24FN5O.C21H20F2N4OS.C20H20FN5OS.C18H18N4O2S/c1-28(2)14-19-9-16-12-29(13-17(16)11-26-19)23(30)10-22-20(25)7-8-21(27-22)15-3-5-18(24)6-4-15;22-8-10-27-9-7-20-18(12-27)26-21(29-20)19(28)11-17-15(24)5-6-16(25-17)13-1-3-14(23)4-2-13;21-6-9-26-8-5-19-17(12-26)25-20(28-19)18(27)10-16-14(22)3-4-15(24-16)13-2-1-7-23-11-13;1-22-7-6-17-14(10-22)21-18(25-17)15(23)9-13-11(19)4-5-12(20-13)16-3-2-8-24-16/h3-9,11H,10,12-14,25H2,1-2H3;1-6H,7-12,24H2;1-4,7,11H,5-6,8-10,12,22H2;2-5,8H,6-7,9-10,19H2,1H3
• InChIKey: UBMZEZPZAXNCBC-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 317.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.87
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone?

The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone (CID 161046054) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone.

What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone?

The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone is CN(C)Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.CN1CCc2sc(C(=O)Cc3nc(-c4ccco4)ccc3N)nc2C1.Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)c1nc2c(s1)CCN(CCF)C2.Nc1ccc(-c2cccnc2)nc1CC(=O)c1nc2c(s1)CCN(CCF)C2.

What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone?

The InChIKey is UBMZEZPZAXNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O.C21H20F2N4OS.C20H20FN5OS.C18H18N4O2S/c1-28(2)14-19-9-16-12-29(13-17(16)11-26-19)23(30)10-22-20(25)7-8-21(27-22)15-3-5-18(24)6-4-15;22-8-10-27-9-7-20-18(12-27)26-21(29-20)19(28)11-17-15(24)5-6-16(25-17)13-1-3-14(23)4-2-13;21-6-9-26-8-5-19-17(12-26)25-20(28-19)18(27)10-16-14(22)3-4-15(24-16)13-2-1-7-23-11-13;1-22-7-6-17-14(10-22)21-18(25-17)15(23)9-13-11(19)4-5-12(20-13)16-3-2-8-24-16/h3-9,11H,10,12-14,25H2,1-2H3;1-6H,7-12,24H2;1-4,7,11H,5-6,8-10,12,22H2;2-5,8H,6-7,9-10,19H2,1H3.

What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone?

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone has a molecular weight of 1571.87 g/mol, XLogP of 12.42, 21 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-[(dimethylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone;2-[3-amino-6-(furan-2-yl)-2-pyridinyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[5-(2-fluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 161046054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).