6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C31H33N5O3 — CID 23636369

IUPAC6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37)
InChIKeyVTHIZWRLBYQAKK-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.69
Rot. Bonds9

About 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23636369) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID23636369
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC Name6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37)
InChIKeyVTHIZWRLBYQAKK-UHFFFAOYSA-N
XLogP4.69
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23636369) is 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is VTHIZWRLBYQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-4-34(5-2)20-22-8-6-7-9-26(22)21-10-12-23(13-11-21)35-19-18-27-28(30(32)37)33-36(29(27)31(35)38)24-14-16-25(39-3)17-15-24/h6-17H,4-5,18-20H2,1-3H3,(H2,32,37).
What are the key properties of 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23636369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).