1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21N5O3 — CID 60616054

IUPAC1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CN1
InChIInChI=1S/C23H21N5O3/c29-21-9-8-16(12-24-21)26-23(30)18-11-20(15-5-2-1-3-6-15)27-22-19(18)13-25-28(22)14-17-7-4-10-31-17/h1-7,10-11,13,16H,8-9,12,14H2,(H,24,29)(H,26,30)
InChIKeyOFAOZHOWSUOVMV-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.75
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60616054) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60616054
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CN1
InChIInChI=1S/C23H21N5O3/c29-21-9-8-16(12-24-21)26-23(30)18-11-20(15-5-2-1-3-6-15)27-22-19(18)13-25-28(22)14-17-7-4-10-31-17/h1-7,10-11,13,16H,8-9,12,14H2,(H,24,29)(H,26,30)
InChIKeyOFAOZHOWSUOVMV-UHFFFAOYSA-N
XLogP2.75
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581
1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30000839
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46697455
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46698336
1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52554963
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30039321
1-(furan-2-ylmethyl)-N-[2-(2-methylphenyl)ethyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55504581
6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95689858
N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26079973
1-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522023
[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 55503967
N-(cyanomethoxy)-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146096805

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60616054) is 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is O=C1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)CN1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OFAOZHOWSUOVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-21-9-8-16(12-24-21)26-23(30)18-11-20(15-5-2-1-3-6-15)27-22-19(18)13-25-28(22)14-17-7-4-10-31-17/h1-7,10-11,13,16H,8-9,12,14H2,(H,24,29)(H,26,30).
What are the key properties of 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60616054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).