[(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C25H32N8O4 — CID 137363543

About [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363543) has the molecular formula C25H32N8O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 137363543
• Molecular Formula: C25H32N8O4
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.25
• IUPAC Name: [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
• SMILES: CCn1nc(C)c2c(N3CCC[C@H]3CO)nc(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc21
• InChI: InChI=1S/C25H32N8O4/c1-6-33-24-21(15(2)30-33)23(32-9-7-8-16(32)13-34)28-25(29-24)27-20-12-31(14-26-20)17-10-18(35-3)22(37-5)19(11-17)36-4/h10-12,14,16,34H,6-9,13H2,1-5H3,(H,27,28,29)/t16-/m0/s1
• InChIKey: IZOHWOASQQRJHH-INIZCTEOSA-N
• XLogP: 3.07
• TPSA: 124.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 137363543) is [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCn1nc(C)c2c(N3CCC[C@H]3CO)nc(Nc3cn(-c4cc(OC)c(OC)c(OC)c4)cn3)nc21.

What is the InChIKey of [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

The InChIKey is IZOHWOASQQRJHH-INIZCTEOSA-N. The full InChI is InChI=1S/C25H32N8O4/c1-6-33-24-21(15(2)30-33)23(32-9-7-8-16(32)13-34)28-25(29-24)27-20-12-31(14-26-20)17-10-18(35-3)22(37-5)19(11-17)36-4/h10-12,14,16,34H,6-9,13H2,1-5H3,(H,27,28,29)/t16-/m0/s1.

What are the key properties of [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?

[(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 508.58 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[1-ethyl-3-methyl-6-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).