2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C73H91Cl3N20O14 — CID 167542059

About 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167542059) has the molecular formula C73H91Cl3N20O14 and a molecular weight of 1579.02 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167542059
• Molecular Formula: C73H91Cl3N20O14
• Molecular Weight: 1579.02 g/mol
• Exact Mass: 1576.61
• IUPAC Name: 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: CC(C)N1Cc2c(Cl)nc(Cl)nc2C1=O.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3CN(C(C)C)C4=O)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3CN(C(C)C)C4=O)c2)cc(OC)c1OC.OC[C@@H]1CCCN1
• InChI: InChI=1S/C26H33N7O5.C21H23ClN6O4.C12H15N3O3.C9H9Cl2N3O.C5H11NO/c1-15(2)33-11-18-22(25(33)35)29-26(32-8-6-7-16(32)13-34)30-24(18)28-21-12-31(14-27-21)17-9-19(36-3)23(38-5)20(10-17)37-4;1-11(2)28-8-13-17(20(28)29)25-21(22)26-19(13)24-16-9-27(10-23-16)12-6-14(30-3)18(32-5)15(7-12)31-4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-4(2)14-3-5-6(8(14)15)12-9(11)13-7(5)10;7-4-5-2-1-3-6-5/h9-10,12,14-16,34H,6-8,11,13H2,1-5H3,(H,28,29,30);6-7,9-11H,8H2,1-5H3,(H,24,25,26);4-7H,13H2,1-3H3;4H,3H2,1-2H3;5-7H,1-4H2/t16-;;;;5-/m0...0/s1
• InChIKey: BHZJSHCUAPEKDG-ZADWPAQNSA-N
• XLogP: 9.56
• TPSA: 380.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1579.02
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167542059) is 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is CC(C)N1Cc2c(Cl)nc(Cl)nc2C1=O.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3CN(C(C)C)C4=O)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nc4c3CN(C(C)C)C4=O)c2)cc(OC)c1OC.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is BHZJSHCUAPEKDG-ZADWPAQNSA-N. The full InChI is InChI=1S/C26H33N7O5.C21H23ClN6O4.C12H15N3O3.C9H9Cl2N3O.C5H11NO/c1-15(2)33-11-18-22(25(33)35)29-26(32-8-6-7-16(32)13-34)30-24(18)28-21-12-31(14-27-21)17-9-19(36-3)23(38-5)20(10-17)37-4;1-11(2)28-8-13-17(20(28)29)25-21(22)26-19(13)24-16-9-27(10-23-16)12-6-14(30-3)18(32-5)15(7-12)31-4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-4(2)14-3-5-6(8(14)15)12-9(11)13-7(5)10;7-4-5-2-1-3-6-5/h9-10,12,14-16,34H,6-8,11,13H2,1-5H3,(H,28,29,30);6-7,9-11H,8H2,1-5H3,(H,24,25,26);4-7H,13H2,1-3H3;4H,3H2,1-2H3;5-7H,1-4H2/t16-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1579.02 g/mol, XLogP of 9.56, 22 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;2,4-dichloro-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-propan-2-yl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167542059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).