2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine

C126H119Cl9F9N25O3 — CID 159599436

About 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine

2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 159599436) has the molecular formula C126H119Cl9F9N25O3 and a molecular weight of 2521.57 g/mol. Its IUPAC name is 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 159599436
• Molecular Formula: C126H119Cl9F9N25O3
• Molecular Weight: 2521.57 g/mol
• Exact Mass: 2515.70
• IUPAC Name: 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1ccc(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Fc1cc(Cl)c(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Fc1ccc(CNc2ncc3cc(-c4ccc(Cl)cc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1F.Oc1ccc(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Oc1ccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1Cl
• InChI: InChI=1S/C26H26ClF2N5O.C25H24Cl3N5O.C25H22Cl2F3N5.C25H23Cl2F2N5.C25H24ClF2N5O/c1-35-19-5-6-20(21(27)11-19)24-10-18-14-32-26(31-13-16-4-7-22(28)23(29)9-16)33-25(18)34(24)15-17-3-2-8-30-12-17;26-18-4-1-5-19(27)23(18)21-10-17-13-31-25(30-12-15-6-7-22(34)20(28)9-15)32-24(17)33(21)14-16-3-2-8-29-11-16;26-18-8-17(28)9-19(27)23(18)22-7-16-12-33-25(32-11-14-3-4-20(29)21(30)6-14)34-24(16)35(22)13-15-2-1-5-31-10-15;26-18-4-5-19(20(27)10-18)23-9-17-13-32-25(31-12-15-3-6-21(28)22(29)8-15)33-24(17)34(23)14-16-2-1-7-30-11-16;26-20-10-18(34)4-5-19(20)23-9-17-13-31-25(30-12-15-3-6-21(27)22(28)8-15)32-24(17)33(23)14-16-2-1-7-29-11-16/h4-7,9-11,14,17,30H,2-3,8,12-13,15H2,1H3,(H,31,32,33);1,4-7,9-10,13,16,29,34H,2-3,8,11-12,14H2,(H,30,31,32);3-4,6-9,12,15,31H,1-2,5,10-11,13H2,(H,32,33,34);3-6,8-10,13,16,30H,1-2,7,11-12,14H2,(H,31,32,33);3-6,8-10,13,16,29,34H,1-2,7,11-12,14H2,(H,30,31,32)/t17-;16-;15-;2*16-/m11111/s1
• InChIKey: MLGXJLCPBCARHI-GZCIKMMQSA-N
• XLogP: 30.10
• TPSA: 323.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.57
LogP ≤ 5	30.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 159599436) is 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1ccc(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Fc1cc(Cl)c(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Fc1ccc(CNc2ncc3cc(-c4ccc(Cl)cc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1F.Oc1ccc(-c2cc3cnc(NCc4ccc(F)c(F)c4)nc3n2C[C@@H]2CCCNC2)c(Cl)c1.Oc1ccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)n(C[C@@H]4CCCNC4)c3n2)cc1Cl.

What is the InChIKey of 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is MLGXJLCPBCARHI-GZCIKMMQSA-N. The full InChI is InChI=1S/C26H26ClF2N5O.C25H24Cl3N5O.C25H22Cl2F3N5.C25H23Cl2F2N5.C25H24ClF2N5O/c1-35-19-5-6-20(21(27)11-19)24-10-18-14-32-26(31-13-16-4-7-22(28)23(29)9-16)33-25(18)34(24)15-17-3-2-8-30-12-17;26-18-4-1-5-19(27)23(18)21-10-17-13-31-25(30-12-15-6-7-22(34)20(28)9-15)32-24(17)33(21)14-16-3-2-8-29-11-16;26-18-8-17(28)9-19(27)23(18)22-7-16-12-33-25(32-11-14-3-4-20(29)21(30)6-14)34-24(16)35(22)13-15-2-1-5-31-10-15;26-18-4-5-19(20(27)10-18)23-9-17-13-32-25(31-12-15-3-6-21(28)22(29)8-15)33-24(17)34(23)14-16-2-1-7-30-11-16;26-20-10-18(34)4-5-19(20)23-9-17-13-31-25(30-12-15-3-6-21(27)22(28)8-15)32-24(17)33(23)14-16-2-1-7-29-11-16/h4-7,9-11,14,17,30H,2-3,8,12-13,15H2,1H3,(H,31,32,33);1,4-7,9-10,13,16,29,34H,2-3,8,11-12,14H2,(H,30,31,32);3-4,6-9,12,15,31H,1-2,5,10-11,13H2,(H,32,33,34);3-6,8-10,13,16,30H,1-2,7,11-12,14H2,(H,31,32,33);3-6,8-10,13,16,29,34H,1-2,7,11-12,14H2,(H,30,31,32)/t17-;16-;15-;2*16-/m11111/s1.

What are the key properties of 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2521.57 g/mol, XLogP of 30.10, 31 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[[6-(2,6-dichlorophenyl)-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]methyl]phenol;3-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]phenol;6-(2-chloro-4-methoxyphenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,6-dichloro-4-fluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine;6-(2,4-dichlorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-[[(3R)-piperidin-3-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159599436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).