N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H29N5O2 — CID 55520262

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C
InChIInChI=1S/C25H29N5O2/c1-5-30(6-2)16-19-11-8-7-10-18(19)15-26-25(31)20-14-21(22-12-9-13-32-22)27-24-23(20)17(3)28-29(24)4/h7-14H,5-6,15-16H2,1-4H3,(H,26,31)
InChIKeyOKYCRGWYIZLNQM-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.31
Rot. Bonds8

About N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55520262) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55520262
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C
InChIInChI=1S/C25H29N5O2/c1-5-30(6-2)16-19-11-8-7-10-18(19)15-26-25(31)20-14-21(22-12-9-13-32-22)27-24-23(20)17(3)28-29(24)4/h7-14H,5-6,15-16H2,1-4H3,(H,26,31)
InChIKeyOKYCRGWYIZLNQM-UHFFFAOYSA-N
XLogP4.31
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55520262) is N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OKYCRGWYIZLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-5-30(6-2)16-19-11-8-7-10-18(19)15-26-25(31)20-14-21(22-12-9-13-32-22)27-24-23(20)17(3)28-29(24)4/h7-14H,5-6,15-16H2,1-4H3,(H,26,31).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55520262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).