N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

C18H18FN5OS — CID 7199763

IUPACN-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C18H18FN5OS/c19-12-5-7-14(8-6-12)24-17-15(9-22-24)18(21-11-20-17)26-10-16(25)23-13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25)
InChIKeyKHBNGVMEQMWCEL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.11
Rot. Bonds5

About N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 7199763) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
PubChem CID7199763
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC NameN-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C18H18FN5OS/c19-12-5-7-14(8-6-12)24-17-15(9-22-24)18(21-11-20-17)26-10-16(25)23-13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25)
InChIKeyKHBNGVMEQMWCEL-UHFFFAOYSA-N
XLogP3.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (CID 7199763) is N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is KHBNGVMEQMWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-12-5-7-14(8-6-12)24-17-15(9-22-24)18(21-11-20-17)26-10-16(25)23-13-3-1-2-4-13/h5-9,11,13H,1-4,10H2,(H,23,25).
What are the key properties of N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 7199763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).