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

C25H18N4O2S — CID 11662100

IUPAC2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C25H18N4O2S/c1-16-6-2-3-9-19(16)25(31)28-18-8-4-7-17(14-18)21-11-12-26-24-20(15-27-29(21)24)23(30)22-10-5-13-32-22/h2-15H,1H3,(H,28,31)
InChIKeyRPYMKONIXZOGLK-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.25
Rot. Bonds5

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

2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide (PubChem CID 11662100) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
PubChem CID11662100
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C25H18N4O2S/c1-16-6-2-3-9-19(16)25(31)28-18-8-4-7-17(14-18)21-11-12-26-24-20(15-27-29(21)24)23(30)22-10-5-13-32-22/h2-15H,1H3,(H,28,31)
InChIKeyRPYMKONIXZOGLK-UHFFFAOYSA-N
XLogP5.25
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide (CID 11662100) is 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide?
The InChIKey is RPYMKONIXZOGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c1-16-6-2-3-9-19(16)25(31)28-18-8-4-7-17(14-18)21-11-12-26-24-20(15-27-29(21)24)23(30)22-10-5-13-32-22/h2-15H,1H3,(H,28,31).
What are the key properties of 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide?
2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide is sourced from PubChem (CID 11662100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).