2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C25H18N4O2S — CID 11669309

IUPAC2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C25H18N4O2S/c30-23(14-17-6-2-1-3-7-17)28-19-9-4-8-18(15-19)21-11-12-26-25-20(16-27-29(21)25)24(31)22-10-5-13-32-22/h1-13,15-16H,14H2,(H,28,30)
InChIKeyKECSKKUCUAYKBZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.87
Rot. Bonds6

About 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 11669309) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
PubChem CID11669309
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C25H18N4O2S/c30-23(14-17-6-2-1-3-7-17)28-19-9-4-8-18(15-19)21-11-12-26-25-20(16-27-29(21)25)24(31)22-10-5-13-32-22/h1-13,15-16H,14H2,(H,28,30)
InChIKeyKECSKKUCUAYKBZ-UHFFFAOYSA-N
XLogP4.87
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 6450813
CID 6450813
CID 134540190
CID 134540190
CID 12004146
CID 12004146
CID 2409032
CID 2409032
CID 134539487
CID 134539487
CID 134539513
CID 134539513
CID 134539764
CID 134539764
CID 134539877
CID 134539877
CID 134539886
CID 134539886
CID 134539903
CID 134539903
CID 134540034
CID 134540034
CID 134540086
CID 134540086

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 11669309) is 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is O=C(Cc1ccccc1)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is KECSKKUCUAYKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c30-23(14-17-6-2-1-3-7-17)28-19-9-4-8-18(15-19)21-11-12-26-25-20(16-27-29(21)25)24(31)22-10-5-13-32-22/h1-13,15-16H,14H2,(H,28,30).
What are the key properties of 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 11669309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).