3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C25H28N4O2 — CID 135417936

IUPAC3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-25(2,3)22-21-14-18(16-26-15-17-10-12-20(31-4)13-11-17)24(30)27-23(21)29(28-22)19-8-6-5-7-9-19/h5-14,26H,15-16H2,1-4H3,(H,27,30)
InChIKeyPDDINQAZPVLIHR-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.31
Rot. Bonds6

About 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135417936) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135417936
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-25(2,3)22-21-14-18(16-26-15-17-10-12-20(31-4)13-11-17)24(30)27-23(21)29(28-22)19-8-6-5-7-9-19/h5-14,26H,15-16H2,1-4H3,(H,27,30)
InChIKeyPDDINQAZPVLIHR-UHFFFAOYSA-N
XLogP4.31
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one 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-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135417936) is 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1.
What is the InChIKey of 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PDDINQAZPVLIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-25(2,3)22-21-14-18(16-26-15-17-10-12-20(31-4)13-11-17)24(30)27-23(21)29(28-22)19-8-6-5-7-9-19/h5-14,26H,15-16H2,1-4H3,(H,27,30).
What are the key properties of 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 416.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[(4-methoxyphenyl)methylamino]methyl]-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135417936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).