N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide

C20H20N6O2S — CID 46180665

IUPACN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C20H20N6O2S/c1-12(27)21-10-13-9-17-18(29-13)20(26-5-7-28-8-6-26)24-19(23-17)14-3-2-4-16-15(14)11-22-25-16/h2-4,9,11H,5-8,10H2,1H3,(H,21,27)(H,22,25)
InChIKeyJSRNAKDXAPQVRG-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.71
Rot. Bonds4

About N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide

N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide (PubChem CID 46180665) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
PubChem CID46180665
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C20H20N6O2S/c1-12(27)21-10-13-9-17-18(29-13)20(26-5-7-28-8-6-26)24-19(23-17)14-3-2-4-16-15(14)11-22-25-16/h2-4,9,11H,5-8,10H2,1H3,(H,21,27)(H,22,25)
InChIKeyJSRNAKDXAPQVRG-UHFFFAOYSA-N
XLogP2.71
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The IUPAC name of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide (CID 46180665) is N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide is CC(=O)NCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
The InChIKey is JSRNAKDXAPQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-12(27)21-10-13-9-17-18(29-13)20(26-5-7-28-8-6-26)24-19(23-17)14-3-2-4-16-15(14)11-22-25-16/h2-4,9,11H,5-8,10H2,1H3,(H,21,27)(H,22,25).
What are the key properties of N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide?
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide has a molecular weight of 408.49 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]acetamide is sourced from PubChem (CID 46180665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).