[5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

C30H31N5O4 — CID 59824946

About [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

[5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 59824946) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 59824946
• Molecular Formula: C30H31N5O4
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.24
• IUPAC Name: [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(-c3cccc(C(O)c4nccn4C)c3)cc12
• InChI: InChI=1S/C30H31N5O4/c1-30(2,3)29(37)39-18-35-27-23(25(33-35)22-11-6-7-12-24(22)38-5)16-21(17-32-27)19-9-8-10-20(15-19)26(36)28-31-13-14-34(28)4/h6-17,26,36H,18H2,1-5H3
• InChIKey: HHHFIJFEZSTPMW-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 104.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (CID 59824946) is [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(-c3cccc(C(O)c4nccn4C)c3)cc12.

What is the InChIKey of [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is HHHFIJFEZSTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c1-30(2,3)29(37)39-18-35-27-23(25(33-35)22-11-6-7-12-24(22)38-5)16-21(17-32-27)19-9-8-10-20(15-19)26(36)28-31-13-14-34(28)4/h6-17,26,36H,18H2,1-5H3.

What are the key properties of [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

[5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 525.61 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59824946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).