N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide

C27H26N4O3S — CID 58365376

IUPACN-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(NC(C)=O)c1
InChIInChI=1S/C27H26N4O3S/c1-15(2)24-23-25(30-29-24)27(33)31(26(23)20-7-5-6-8-22(20)34-4)18-9-10-19(17-11-12-35-14-17)21(13-18)28-16(3)32/h5-15,26H,1-4H3,(H,28,32)(H,29,30)
InChIKeyKSQVGFPVKMSAMF-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.98
Rot. Bonds6

About N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide

N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide (PubChem CID 58365376) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide
PubChem CID58365376
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(NC(C)=O)c1
InChIInChI=1S/C27H26N4O3S/c1-15(2)24-23-25(30-29-24)27(33)31(26(23)20-7-5-6-8-22(20)34-4)18-9-10-19(17-11-12-35-14-17)21(13-18)28-16(3)32/h5-15,26H,1-4H3,(H,28,32)(H,29,30)
InChIKeyKSQVGFPVKMSAMF-UHFFFAOYSA-N
XLogP5.98
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[3-(4-ethoxyphenyl)-6-oxo-4-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020119
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045072
3-Tert-butyl-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365787
Ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 15990917
Ethyl 4-[4-(4-ethoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 15990923
Ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020175
5-(4-ethoxyphenyl)-4-(3-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 4916244
3-(1-hydroxymethyl-1-methylethyl)-4-(2-methoxyphenyl)-5-(4-thiophene-3-ylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazole-6-one
CID 58365251
4-[2-(1,3-Dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365253
5-(3-Amino-4-thiophen-3-ylphenyl)-4-(2-methoxyphenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365269
N-[2-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenoxy]ethyl]acetamide
CID 58365279
3-propan-2-yl-4-[2-(2H-tetrazol-5-ylmethoxy)phenyl]-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365326

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide?
The IUPAC name of N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide (CID 58365376) is N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide.
What is the SMILES notation for N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide?
The canonical SMILES for N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide is COc1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide?
The InChIKey is KSQVGFPVKMSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-15(2)24-23-25(30-29-24)27(33)31(26(23)20-7-5-6-8-22(20)34-4)18-9-10-19(17-11-12-35-14-17)21(13-18)28-16(3)32/h5-15,26H,1-4H3,(H,28,32)(H,29,30).
What are the key properties of N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide?
N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide has a molecular weight of 486.60 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-methoxyphenyl)-6-oxo-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-thiophen-3-ylphenyl]acetamide is sourced from PubChem (CID 58365376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).