N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C20H25N5OS — CID 51319810

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CSc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C20H25N5OS/c1-13(2)9-15-5-7-16(8-6-15)14(3)24-18(26)11-27-20-17-10-23-25(4)19(17)21-12-22-20/h5-8,10,12-14H,9,11H2,1-4H3,(H,24,26)
InChIKeyZRSWVQWYCBHHFK-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.53
Rot. Bonds7

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 51319810) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID51319810
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)CSc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C20H25N5OS/c1-13(2)9-15-5-7-16(8-6-15)14(3)24-18(26)11-27-20-17-10-23-25(4)19(17)21-12-22-20/h5-8,10,12-14H,9,11H2,1-4H3,(H,24,26)
InChIKeyZRSWVQWYCBHHFK-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 51319810) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CC(C)Cc1ccc(C(C)NC(=O)CSc2ncnc3c2cnn3C)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ZRSWVQWYCBHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-13(2)9-15-5-7-16(8-6-15)14(3)24-18(26)11-27-20-17-10-23-25(4)19(17)21-12-22-20/h5-8,10,12-14H,9,11H2,1-4H3,(H,24,26).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 383.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 51319810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).