5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H20N6OS — CID 75378863

IUPAC5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc2c(N3CCCC(c4cc(C(N)=O)n[nH]4)C3)ncnc2s1
InChIInChI=1S/C17H20N6OS/c1-2-11-6-12-16(19-9-20-17(12)25-11)23-5-3-4-10(8-23)13-7-14(15(18)24)22-21-13/h6-7,9-10H,2-5,8H2,1H3,(H2,18,24)(H,21,22)
InChIKeyNZQOUOHKMOKRPZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.46
Rot. Bonds4

About 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 75378863) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID75378863
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc2c(N3CCCC(c4cc(C(N)=O)n[nH]4)C3)ncnc2s1
InChIInChI=1S/C17H20N6OS/c1-2-11-6-12-16(19-9-20-17(12)25-11)23-5-3-4-10(8-23)13-7-14(15(18)24)22-21-13/h6-7,9-10H,2-5,8H2,1H3,(H2,18,24)(H,21,22)
InChIKeyNZQOUOHKMOKRPZ-UHFFFAOYSA-N
XLogP2.46
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 75378863) is 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCc1cc2c(N3CCCC(c4cc(C(N)=O)n[nH]4)C3)ncnc2s1.
What is the InChIKey of 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NZQOUOHKMOKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-2-11-6-12-16(19-9-20-17(12)25-11)23-5-3-4-10(8-23)13-7-14(15(18)24)22-21-13/h6-7,9-10H,2-5,8H2,1H3,(H2,18,24)(H,21,22).
What are the key properties of 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75378863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).