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

C23H20N4O2S — CID 44590561

IUPACN-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C23H20N4O2S/c28-21(20-9-4-12-30-20)18-14-25-27-19(10-11-24-22(18)27)15-5-3-6-16(13-15)23(29)26-17-7-1-2-8-17/h3-6,9-14,17H,1-2,7-8H2,(H,26,29)
InChIKeyPTQXBJBDBNSNKW-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.36
Rot. Bonds5

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

N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (PubChem CID 44590561) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
PubChem CID44590561
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C23H20N4O2S/c28-21(20-9-4-12-30-20)18-14-25-27-19(10-11-24-22(18)27)15-5-3-6-16(13-15)23(29)26-17-7-1-2-8-17/h3-6,9-14,17H,1-2,7-8H2,(H,26,29)
InChIKeyPTQXBJBDBNSNKW-UHFFFAOYSA-N
XLogP4.36
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 87898441
CID 87898441
[7-[3-(3,3-dimethylbutylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 44590590
[7-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 11531944
2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzamide
CID 11662100
N-prop-2-ynyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 86603960
[7-[3-[2-(2-pyrrolidin-1-ylethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 11626945
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
N-(4-hydroxycyclohexyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110895303
[7-(3-amino-4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-thiophen-2-ylmethanone
CID 76974101
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
CID 23649037
O-ethyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamothioate
CID 86603955

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The IUPAC name of N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (CID 44590561) is N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is O=C(NC1CCCC1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The InChIKey is PTQXBJBDBNSNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21(20-9-4-12-30-20)18-14-25-27-19(10-11-24-22(18)27)15-5-3-6-16(13-15)23(29)26-17-7-1-2-8-17/h3-6,9-14,17H,1-2,7-8H2,(H,26,29).
What are the key properties of N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide has a molecular weight of 416.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 44590561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).