1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone

C24H23N5O2S — CID 10160792

IUPAC1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(28-14-10-24(31,11-15-28)20-8-4-5-12-25-20)21(17-6-2-1-3-7-17)29-13-9-19-18(23(29)32)16-26-27-19/h1-9,12-13,16,21,31H,10-11,14-15H2,(H,26,27)
InChIKeyRCIRLWFFRCOHGA-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone

1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 10160792) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID10160792
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(28-14-10-24(31,11-15-28)20-8-4-5-12-25-20)21(17-6-2-1-3-7-17)29-13-9-19-18(23(29)32)16-26-27-19/h1-9,12-13,16,21,31H,10-11,14-15H2,(H,26,27)
InChIKeyRCIRLWFFRCOHGA-UHFFFAOYSA-N
XLogP3.59
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 91838716
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57425726
N-(2,3-dihydrothiophen-3-yl)-N-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]-3-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-7-carboxamide
CID 172370728
1-{[3-(2-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}-4-pyridin-2-ylpiperidin-4-ol
CID 119067847
[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-[5-(1H-pyrazol-4-yl)-2-pyridinyl]methanone
CID 137928049
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 154886062
[3-(4-ethylphenyl)-1H-pyrazol-5-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154888405
(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668478
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 16672649
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 16677059
4-(5-Methylpyridin-2-YL)-1-[3-(1H-pyrazol-4-YL)benzoyl]piperidin-4-OL
CID 56738167
4-(5-methylpyridin-2-yl)-1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]piperidin-4-ol
CID 56741903

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 10160792) is 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone is O=C(C(c1ccccc1)n1ccc2[nH]ncc2c1=S)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is RCIRLWFFRCOHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(28-14-10-24(31,11-15-28)20-8-4-5-12-25-20)21(17-6-2-1-3-7-17)29-13-9-19-18(23(29)32)16-26-27-19/h1-9,12-13,16,21,31H,10-11,14-15H2,(H,26,27).
What are the key properties of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone?
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 445.55 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 10160792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).