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

C20H18N4O2S2 — CID 44590722

IUPAC3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)s1
InChIInChI=1S/C20H18N4O2S2/c1-12(2)10-17(25)23-18-6-5-15(28-18)14-7-8-21-20-13(11-22-24(14)20)19(26)16-4-3-9-27-16/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyYOMDIOCYGPKEPV-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.73
Rot. Bonds6

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

3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide (PubChem CID 44590722) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide
PubChem CID44590722
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)s1
InChIInChI=1S/C20H18N4O2S2/c1-12(2)10-17(25)23-18-6-5-15(28-18)14-7-8-21-20-13(11-22-24(14)20)19(26)16-4-3-9-27-16/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyYOMDIOCYGPKEPV-UHFFFAOYSA-N
XLogP4.73
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide (CID 44590722) is 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide is CC(C)CC(=O)Nc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)s1.
What is the InChIKey of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide?
The InChIKey is YOMDIOCYGPKEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-12(2)10-17(25)23-18-6-5-15(28-18)14-7-8-21-20-13(11-22-24(14)20)19(26)16-4-3-9-27-16/h3-9,11-12H,10H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide?
3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide has a molecular weight of 410.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]thiophen-2-yl]butanamide is sourced from PubChem (CID 44590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).