[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

C24H24N4O2 — CID 46697455

IUPAC[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)C1
InChIInChI=1S/C24H24N4O2/c1-17-7-5-11-27(15-17)24(29)20-13-22(18-8-3-2-4-9-18)26-23-21(20)14-25-28(23)16-19-10-6-12-30-19/h2-4,6,8-10,12-14,17H,5,7,11,15-16H2,1H3
InChIKeyQMCFLDUZVKAFCE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.61
Rot. Bonds4

About [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 46697455) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID46697455
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)C1
InChIInChI=1S/C24H24N4O2/c1-17-7-5-11-27(15-17)24(29)20-13-22(18-8-3-2-4-9-18)26-23-21(20)14-25-28(23)16-19-10-6-12-30-19/h2-4,6,8-10,12-14,17H,5,7,11,15-16H2,1H3
InChIKeyQMCFLDUZVKAFCE-UHFFFAOYSA-N
XLogP4.61
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46698336
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 55503967
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
1-(furan-2-ylmethyl)-N-(6-oxopiperidin-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616054
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
1-(furan-2-ylmethyl)-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30000839
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
1-(furan-2-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52554963

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 46697455) is [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is QMCFLDUZVKAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-7-5-11-27(15-17)24(29)20-13-22(18-8-3-2-4-9-18)26-23-21(20)14-25-28(23)16-19-10-6-12-30-19/h2-4,6,8-10,12-14,17H,5,7,11,15-16H2,1H3.
What are the key properties of [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46697455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).