N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

C96H94F16N30 — CID 157363932

About N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (PubChem CID 157363932) has the molecular formula C96H94F16N30 and a molecular weight of 1971.99 g/mol. Its IUPAC name is N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• PubChem CID: 157363932
• Molecular Formula: C96H94F16N30
• Molecular Weight: 1971.99 g/mol
• Exact Mass: 1970.80
• IUPAC Name: N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1CC(F)F.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1CCF.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1CC(F)(F)F.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1CC(F)F
• InChI: InChI=1S/C26H28F4N8.C26H29F3N8.C22H18F5N7.C22H19F4N7/c1-15-32-25-18(27)10-17(11-21(25)38(15)14-22(29)30)24-19(28)12-31-26(35-24)34-23-5-4-16-13-37(9-8-36(2)3)7-6-20(16)33-23;1-16-31-25-19(28)12-18(13-22(25)37(16)9-7-27)24-20(29)14-30-26(34-24)33-23-5-4-17-15-36(11-10-35(2)3)8-6-21(17)32-23;1-11-30-20-14(23)6-13(7-17(20)34(11)10-22(25,26)27)19-15(24)9-29-21(33-19)32-18-3-2-12-8-28-5-4-16(12)31-18;1-11-29-21-14(23)6-13(7-17(21)33(11)10-18(25)26)20-15(24)9-28-22(32-20)31-19-3-2-12-8-27-5-4-16(12)30-19/h4-5,10-12,22H,6-9,13-14H2,1-3H3,(H,31,33,34,35);4-5,12-14H,6-11,15H2,1-3H3,(H,30,32,33,34);2-3,6-7,9,28H,4-5,8,10H2,1H3,(H,29,31,32,33);2-3,6-7,9,18,27H,4-5,8,10H2,1H3,(H,28,30,31,32)
• InChIKey: BIYOEOCJDRXTBD-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 311.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.99
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The IUPAC name of N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine (CID 157363932) is N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine.

What is the SMILES notation for N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The canonical SMILES for N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1CC(F)F.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1CCF.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1CC(F)(F)F.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1CC(F)F.

What is the InChIKey of N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

The InChIKey is BIYOEOCJDRXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N8.C26H29F3N8.C22H18F5N7.C22H19F4N7/c1-15-32-25-18(27)10-17(11-21(25)38(15)14-22(29)30)24-19(28)12-31-26(35-24)34-23-5-4-16-13-37(9-8-36(2)3)7-6-20(16)33-23;1-16-31-25-19(28)12-18(13-22(25)37(16)9-7-27)24-20(29)14-30-26(34-24)33-23-5-4-17-15-36(11-10-35(2)3)8-6-21(17)32-23;1-11-30-20-14(23)6-13(7-17(20)34(11)10-22(25,26)27)19-15(24)9-29-21(33-19)32-18-3-2-12-8-28-5-4-16(12)31-18;1-11-29-21-14(23)6-13(7-17(21)33(11)10-18(25)26)20-15(24)9-28-22(32-20)31-19-3-2-12-8-27-5-4-16(12)30-19/h4-5,10-12,22H,6-9,13-14H2,1-3H3,(H,31,33,34,35);4-5,12-14H,6-11,15H2,1-3H3,(H,30,32,33,34);2-3,6-7,9,28H,4-5,8,10H2,1H3,(H,29,31,32,33);2-3,6-7,9,18,27H,4-5,8,10H2,1H3,(H,28,30,31,32).

What are the key properties of N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine?

N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine has a molecular weight of 1971.99 g/mol, XLogP of 17.07, 25 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine is sourced from PubChem (CID 157363932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).