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

C28H26N4O2 — CID 135418013

IUPAC5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(CNCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C28H26N4O2/c1-19-8-12-21(13-9-19)26-25-16-22(18-29-17-20-10-14-24(34-2)15-11-20)28(33)30-27(25)32(31-26)23-6-4-3-5-7-23/h3-16,29H,17-18H2,1-2H3,(H,30,33)
InChIKeyGCKHTCVRSPZQHP-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.99
Rot. Bonds7

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

5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135418013) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135418013
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(CNCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1
InChIInChI=1S/C28H26N4O2/c1-19-8-12-21(13-9-19)26-25-16-22(18-29-17-20-10-14-24(34-2)15-11-20)28(33)30-27(25)32(31-26)23-6-4-3-5-7-23/h3-16,29H,17-18H2,1-2H3,(H,30,33)
InChIKeyGCKHTCVRSPZQHP-UHFFFAOYSA-N
XLogP4.99
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135418013) is 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(CNCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is GCKHTCVRSPZQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-8-12-21(13-9-19)26-25-16-22(18-29-17-20-10-14-24(34-2)15-11-20)28(33)30-27(25)32(31-26)23-6-4-3-5-7-23/h3-16,29H,17-18H2,1-2H3,(H,30,33).
What are the key properties of 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 450.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methylamino]methyl]-3-(4-methylphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).