7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

C88H104Cl4N20O11 — CID 167558923

About 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167558923) has the molecular formula C88H104Cl4N20O11 and a molecular weight of 1759.74 g/mol. Its IUPAC name is 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• PubChem CID: 167558923
• Molecular Formula: C88H104Cl4N20O11
• Molecular Weight: 1759.74 g/mol
• Exact Mass: 1756.69
• IUPAC Name: 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3CCN(Cc3ccccc3)C4)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3CN(Cc3ccccc3)CC4)c2)cc(OC)c1OC.Cl.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.OC[C@@H]1CCCN1
• InChI: InChI=1S/C31H37N7O4.C26H27ClN6O3.C14H13Cl2N3.C12H15N3O3.C5H11NO.ClH/c1-40-26-14-23(15-27(41-2)29(26)42-3)37-18-28(32-20-37)34-30-24-17-36(16-21-8-5-4-6-9-21)13-11-25(24)33-31(35-30)38-12-7-10-22(38)19-39;1-34-21-11-18(12-22(35-2)24(21)36-3)33-15-23(28-16-33)30-25-19-9-10-32(13-17-7-5-4-6-8-17)14-20(19)29-26(27)31-25;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-4-5-2-1-3-6-5;/h4-6,8-9,14-15,18,20,22,39H,7,10-13,16-17,19H2,1-3H3,(H,33,34,35);4-8,11-12,15-16H,9-10,13-14H2,1-3H3,(H,29,30,31);1-5H,6-9H2;4-7H,13H2,1-3H3;5-7H,1-4H2;1H/t22-;;;;5-;/m0...0./s1
• InChIKey: MXSUSWOBBDVLPG-ZBXNFFPGSA-N
• XLogP: 13.57
• TPSA: 329.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.74
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The IUPAC name of 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167558923) is 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

What is the SMILES notation for 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The canonical SMILES for 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3CCN(Cc3ccccc3)C4)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3CN(Cc3ccccc3)CC4)c2)cc(OC)c1OC.Cl.Clc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.OC[C@@H]1CCCN1.

What is the InChIKey of 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The InChIKey is MXSUSWOBBDVLPG-ZBXNFFPGSA-N. The full InChI is InChI=1S/C31H37N7O4.C26H27ClN6O3.C14H13Cl2N3.C12H15N3O3.C5H11NO.ClH/c1-40-26-14-23(15-27(41-2)29(26)42-3)37-18-28(32-20-37)34-30-24-17-36(16-21-8-5-4-6-9-21)13-11-25(24)33-31(35-30)38-12-7-10-22(38)19-39;1-34-21-11-18(12-22(35-2)24(21)36-3)33-15-23(28-16-33)30-25-19-9-10-32(13-17-7-5-4-6-8-17)14-20(19)29-26(27)31-25;15-13-11-6-7-19(8-10-4-2-1-3-5-10)9-12(11)17-14(16)18-13;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;7-4-5-2-1-3-6-5;/h4-6,8-9,14-15,18,20,22,39H,7,10-13,16-17,19H2,1-3H3,(H,33,34,35);4-8,11-12,15-16H,9-10,13-14H2,1-3H3,(H,29,30,31);1-5H,6-9H2;4-7H,13H2,1-3H3;5-7H,1-4H2;1H/t22-;;;;5-;/m0...0./s1.

What are the key properties of 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride has a molecular weight of 1759.74 g/mol, XLogP of 13.57, 25 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzyl-2-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-benzyl-2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-1-[6-benzyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 167558923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).