3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

C25H23N5O2 — CID 42634049

IUPAC3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2cccc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc2-3)cc1
InChIInChI=1S/C25H23N5O2/c1-17-14-30(16-26-17)22-11-8-19(13-23(22)32-3)24-21-5-4-12-29(25(21)28-27-24)15-18-6-9-20(31-2)10-7-18/h4-14,16H,15H2,1-3H3
InChIKeyOGMWWNDEOAYRBG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.61
Rot. Bonds6

About 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (PubChem CID 42634049) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
PubChem CID42634049
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(Cn2cccc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc2-3)cc1
InChIInChI=1S/C25H23N5O2/c1-17-14-30(16-26-17)22-11-8-19(13-23(22)32-3)24-21-5-4-12-29(25(21)28-27-24)15-18-6-9-20(31-2)10-7-18/h4-14,16H,15H2,1-3H3
InChIKeyOGMWWNDEOAYRBG-UHFFFAOYSA-N
XLogP4.61
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (CID 42634049) is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is COc1ccc(Cn2cccc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc2-3)cc1.
What is the InChIKey of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The InChIKey is OGMWWNDEOAYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-14-30(16-26-17)22-11-8-19(13-23(22)32-3)24-21-5-4-12-29(25(21)28-27-24)15-18-6-9-20(31-2)10-7-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine has a molecular weight of 425.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 42634049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).