1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H18N4O2S — CID 30000839

IUPAC1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1
InChIInChI=1S/C23H18N4O2S/c28-23(24-13-18-9-5-11-30-18)19-12-21(16-6-2-1-3-7-16)26-22-20(19)14-25-27(22)15-17-8-4-10-29-17/h1-12,14H,13,15H2,(H,24,28)
InChIKeyBFMCXRYEEADREG-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.73
Rot. Bonds6

About 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30000839) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30000839
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1
InChIInChI=1S/C23H18N4O2S/c28-23(24-13-18-9-5-11-30-18)19-12-21(16-6-2-1-3-7-16)26-22-20(19)14-25-27(22)15-17-8-4-10-29-17/h1-12,14H,13,15H2,(H,24,28)
InChIKeyBFMCXRYEEADREG-UHFFFAOYSA-N
XLogP4.73
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 30000839) is 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BFMCXRYEEADREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-23(24-13-18-9-5-11-30-18)19-12-21(16-6-2-1-3-7-16)26-22-20(19)14-25-27(22)15-17-8-4-10-29-17/h1-12,14H,13,15H2,(H,24,28).
What are the key properties of 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30000839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).