N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide

C104H107N21O13S5 — CID 91589577

IUPACN-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide
SMILESCC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O3S.C21H18N4O2S.2C20H22N4O3S.C19H22N4O2S/c30-21-19-17(26-27-21)9-13-29(23(19)33)20(16-6-2-1-3-7-16)22(31)28-14-10-24(32,11-15-28)18-8-4-5-12-25-18;1-24(15-10-6-3-7-11-15)20(27)18(14-8-4-2-5-9-14)25-13-12-16-17(21(25)28)19(26)23-22-16;2*1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14;1-4-22(12(2)3)18(25)16(13-8-6-5-7-9-13)23-11-10-14-15(19(23)26)17(24)21-20-14/h1-9,12-13,20,32H,10-11,14-15H2,(H2,26,27,30);2-13,18H,1H3,(H2,22,23,26);2*2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25);5-12,16H,4H2,1-3H3,(H2,20,21,24)
InChIKeyVBTUFFPDDFOQAH-UHFFFAOYSA-N
MW2019.47 g/mol
LogP14.45
Rot. Bonds19

About N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide

N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide (PubChem CID 91589577) has the molecular formula C104H107N21O13S5 and a molecular weight of 2019.47 g/mol. Its IUPAC name is N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide
PubChem CID91589577
Molecular FormulaC104H107N21O13S5
Molecular Weight2019.47 g/mol
Exact Mass2017.70
IUPAC NameN-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide
SMILESCC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C24H23N5O3S.C21H18N4O2S.2C20H22N4O3S.C19H22N4O2S/c30-21-19-17(26-27-21)9-13-29(23(19)33)20(16-6-2-1-3-7-16)22(31)28-14-10-24(32,11-15-28)18-8-4-5-12-25-18;1-24(15-10-6-3-7-11-15)20(27)18(14-8-4-2-5-9-14)25-13-12-16-17(21(25)28)19(26)23-22-16;2*1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14;1-4-22(12(2)3)18(25)16(13-8-6-5-7-9-13)23-11-10-14-15(19(23)26)17(24)21-20-14/h1-9,12-13,20,32H,10-11,14-15H2,(H2,26,27,30);2-13,18H,1H3,(H2,22,23,26);2*2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25);5-12,16H,4H2,1-3H3,(H2,20,21,24)
InChIKeyVBTUFFPDDFOQAH-UHFFFAOYSA-N
XLogP14.45
TPSA443.03 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.47
LogP ≤ 514.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide with MolForge

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Related Compounds

5-[2-(4-Hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
CID 10226548
5-[2-(4-Hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
CID 10298363
N-ethyl-2-phenyl-N-propan-2-yl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide;bis(1-(4-hydroxy-4-methylpiperidin-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;N-methyl-N,2-diphenyl-2-(4-sulfanylidene-1H-pyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 91027314
N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-N,2-diphenylacetamide
CID 91128655
5-[2-(4-Hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
CID 91298219
5-[2-(4-Hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylprop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;5-[1-phenyl-2-(4-phenylpiperazin-1-yl)prop-2-enyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one
CID 91610004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide?
The IUPAC name of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide (CID 91589577) is N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide.
What is the SMILES notation for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide?
The canonical SMILES for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide is CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CC1(O)CCN(C(=O)C(c2ccccc2)n2ccc3[nH][nH]c(=O)c3c2=S)CC1.CCN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)C(C)C.CN(C(=O)C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)c1ccccc1.O=C(C(c1ccccc1)n1ccc2[nH][nH]c(=O)c2c1=S)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide?
The InChIKey is VBTUFFPDDFOQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S.C21H18N4O2S.2C20H22N4O3S.C19H22N4O2S/c30-21-19-17(26-27-21)9-13-29(23(19)33)20(16-6-2-1-3-7-16)22(31)28-14-10-24(32,11-15-28)18-8-4-5-12-25-18;1-24(15-10-6-3-7-11-15)20(27)18(14-8-4-2-5-9-14)25-13-12-16-17(21(25)28)19(26)23-22-16;2*1-20(27)8-11-23(12-9-20)18(26)16(13-5-3-2-4-6-13)24-10-7-14-15(19(24)28)17(25)22-21-14;1-4-22(12(2)3)18(25)16(13-8-6-5-7-9-13)23-11-10-14-15(19(23)26)17(24)21-20-14/h1-9,12-13,20,32H,10-11,14-15H2,(H2,26,27,30);2-13,18H,1H3,(H2,22,23,26);2*2-7,10,16,27H,8-9,11-12H2,1H3,(H2,21,22,25);5-12,16H,4H2,1-3H3,(H2,20,21,24).
What are the key properties of N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide?
N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide has a molecular weight of 2019.47 g/mol, XLogP of 14.45, 19 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-N-propan-2-ylacetamide;bis(5-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one);5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxo-1-phenylethyl]-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-3-one;N-methyl-2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-N,2-diphenylacetamide is sourced from PubChem (CID 91589577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).