2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

C19H17ClN6O2S — CID 27693665

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cnc21
InChIInChI=1S/C19H17ClN6O2S/c1-11(2)26-17-13(8-22-26)7-15(9-21-17)23-16(27)10-29-19-25-24-18(28-19)12-3-5-14(20)6-4-12/h3-9,11H,10H2,1-2H3,(H,23,27)
InChIKeyDTQOMNSJTCGEHQ-UHFFFAOYSA-N
MW428.91 g/mol
LogP4.45
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 27693665) has the molecular formula C19H17ClN6O2S and a molecular weight of 428.91 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID27693665
Molecular FormulaC19H17ClN6O2S
Molecular Weight428.91 g/mol
Exact Mass428.08
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cnc21
InChIInChI=1S/C19H17ClN6O2S/c1-11(2)26-17-13(8-22-26)7-15(9-21-17)23-16(27)10-29-19-25-24-18(28-19)12-3-5-14(20)6-4-12/h3-9,11H,10H2,1-2H3,(H,23,27)
InChIKeyDTQOMNSJTCGEHQ-UHFFFAOYSA-N
XLogP4.45
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 4313387
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-4-ylsulfanylacetamide
CID 25349115
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(dimethylamino)-3,5-difluorophenyl]acetamide
CID 55908081
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78856959
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 18127801
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55332945
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 56735774
N-[(2R)-butan-2-yl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7940518
N-[4-(4-chlorophenoxy)phenyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3255852

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 27693665) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is CC(C)n1ncc2cc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cnc21.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is DTQOMNSJTCGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2S/c1-11(2)26-17-13(8-22-26)7-15(9-21-17)23-16(27)10-29-19-25-24-18(28-19)12-3-5-14(20)6-4-12/h3-9,11H,10H2,1-2H3,(H,23,27).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 428.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 27693665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).