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

C18H19N5OS — CID 1172817

IUPACN-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1)NC1CCCC1
InChIInChI=1S/C18H19N5OS/c24-16(22-13-6-4-5-7-13)11-25-18-15-10-21-23(17(15)19-12-20-18)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H,22,24)
InChIKeyKPGYPORAQQOQBR-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.97
Rot. Bonds5

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

N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 1172817) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID1172817
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1ccccc1)NC1CCCC1
InChIInChI=1S/C18H19N5OS/c24-16(22-13-6-4-5-7-13)11-25-18-15-10-21-23(17(15)19-12-20-18)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H,22,24)
InChIKeyKPGYPORAQQOQBR-UHFFFAOYSA-N
XLogP2.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.97
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-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 1172817) is N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KPGYPORAQQOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-16(22-13-6-4-5-7-13)11-25-18-15-10-21-23(17(15)19-12-20-18)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H,22,24).
What are the key properties of N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 2.97, 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-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1172817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).