(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

C17H20N6OS — CID 129002667

IUPAC(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncnc3sc(C)cc23)cn1
InChIInChI=1S/C17H20N6OS/c1-3-23-8-11(7-20-23)15-13(4-5-14(24)22-15)21-16-12-6-10(2)25-17(12)19-9-18-16/h6-9,13,15H,3-5H2,1-2H3,(H,22,24)(H,18,19,21)/t13-,15+/m1/s1
InChIKeyXZYHETWEMHCSSE-HIFRSBDPSA-N
MW356.46 g/mol
LogP2.65
Rot. Bonds4

About (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 129002667) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
PubChem CID129002667
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncnc3sc(C)cc23)cn1
InChIInChI=1S/C17H20N6OS/c1-3-23-8-11(7-20-23)15-13(4-5-14(24)22-15)21-16-12-6-10(2)25-17(12)19-9-18-16/h6-9,13,15H,3-5H2,1-2H3,(H,22,24)(H,18,19,21)/t13-,15+/m1/s1
InChIKeyXZYHETWEMHCSSE-HIFRSBDPSA-N
XLogP2.65
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (CID 129002667) is (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is CCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncnc3sc(C)cc23)cn1.
What is the InChIKey of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is XZYHETWEMHCSSE-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-3-23-8-11(7-20-23)15-13(4-5-14(24)22-15)21-16-12-6-10(2)25-17(12)19-9-18-16/h6-9,13,15H,3-5H2,1-2H3,(H,22,24)(H,18,19,21)/t13-,15+/m1/s1.
What are the key properties of (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 356.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 129002667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).