N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide

C20H18N6O2S2 — CID 168951102

IUPACN-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCn1ncc2c(SCC(=O)c3ccc(CNC(=O)Cc4ccccn4)s3)ncnc21
InChIInChI=1S/C20H18N6O2S2/c1-26-19-15(10-25-26)20(24-12-23-19)29-11-16(27)17-6-5-14(30-17)9-22-18(28)8-13-4-2-3-7-21-13/h2-7,10,12H,8-9,11H2,1H3,(H,22,28)
InChIKeyLZTHQMNDPCGSFD-UHFFFAOYSA-N
MW438.54 g/mol
LogP2.65
Rot. Bonds8

About N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide

N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 168951102) has the molecular formula C20H18N6O2S2 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID168951102
Molecular FormulaC20H18N6O2S2
Molecular Weight438.54 g/mol
Exact Mass438.09
IUPAC NameN-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESCn1ncc2c(SCC(=O)c3ccc(CNC(=O)Cc4ccccn4)s3)ncnc21
InChIInChI=1S/C20H18N6O2S2/c1-26-19-15(10-25-26)20(24-12-23-19)29-11-16(27)17-6-5-14(30-17)9-22-18(28)8-13-4-2-3-7-21-13/h2-7,10,12H,8-9,11H2,1H3,(H,22,28)
InChIKeyLZTHQMNDPCGSFD-UHFFFAOYSA-N
XLogP2.65
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide (CID 168951102) is N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide is Cn1ncc2c(SCC(=O)c3ccc(CNC(=O)Cc4ccccn4)s3)ncnc21.
What is the InChIKey of N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is LZTHQMNDPCGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S2/c1-26-19-15(10-25-26)20(24-12-23-19)29-11-16(27)17-6-5-14(30-17)9-22-18(28)8-13-4-2-3-7-21-13/h2-7,10,12H,8-9,11H2,1H3,(H,22,28).
What are the key properties of N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 438.54 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 168951102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).