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

C23H24N4O3 — CID 39270156

IUPAC6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-15(2)27-22-19(13-25-27)18(11-20(26-22)21-5-4-10-30-21)23(28)24-12-16-6-8-17(9-7-16)14-29-3/h4-11,13,15H,12,14H2,1-3H3,(H,24,28)
InChIKeyBAAVUWZDHDACKX-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.35
Rot. Bonds7

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

6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39270156) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39270156
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCc1ccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-15(2)27-22-19(13-25-27)18(11-20(26-22)21-5-4-10-30-21)23(28)24-12-16-6-8-17(9-7-16)14-29-3/h4-11,13,15H,12,14H2,1-3H3,(H,24,28)
InChIKeyBAAVUWZDHDACKX-UHFFFAOYSA-N
XLogP4.35
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 39270156) is 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCc1ccc(CNC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1.
What is the InChIKey of 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BAAVUWZDHDACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)27-22-19(13-25-27)18(11-20(26-22)21-5-4-10-30-21)23(28)24-12-16-6-8-17(9-7-16)14-29-3/h4-11,13,15H,12,14H2,1-3H3,(H,24,28).
What are the key properties of 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39270156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).