N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H23N5O3 — CID 38206296

IUPACN-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3)cc(-c3ccco3)nc21
InChIInChI=1S/C23H23N5O3/c1-15(2)28-21-18(14-26-28)17(13-19(27-21)20-9-6-12-31-20)23(30)25-11-10-24-22(29)16-7-4-3-5-8-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyFTFGEGWXHNRHNU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.43
Rot. Bonds7

About N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38206296) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID38206296
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3)cc(-c3ccco3)nc21
InChIInChI=1S/C23H23N5O3/c1-15(2)28-21-18(14-26-28)17(13-19(27-21)20-9-6-12-31-20)23(30)25-11-10-24-22(29)16-7-4-3-5-8-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyFTFGEGWXHNRHNU-UHFFFAOYSA-N
XLogP3.43
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 51292319
N-[4-(ethylcarbamoyl)phenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55802028
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644
6-(furan-2-yl)-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51291950
N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119996921
methyl 2-[[4-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]benzoyl]amino]acetate
CID 33088168
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
N-[(3,5-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55577108
6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39270156
6-(furan-2-yl)-1-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36936644
2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]acetic acid
CID 119346529
6-(furan-2-yl)-1-propan-2-yl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55722233

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 38206296) is N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCNC(=O)c3ccccc3)cc(-c3ccco3)nc21.
What is the InChIKey of N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FTFGEGWXHNRHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15(2)28-21-18(14-26-28)17(13-19(27-21)20-9-6-12-31-20)23(30)25-11-10-24-22(29)16-7-4-3-5-8-16/h3-9,12-15H,10-11H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38206296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).