N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide

C17H22N6OS — CID 53168034

IUPACN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)C1CCCC1
InChIInChI=1S/C17H22N6OS/c24-16(13-3-1-2-4-13)21-14-9-20-23(12-14)17-18-10-15(11-19-17)22-5-7-25-8-6-22/h9-13H,1-8H2,(H,21,24)
InChIKeySXWSYRGTQMXLDV-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide

N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 53168034) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID53168034
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC NameN-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)C1CCCC1
InChIInChI=1S/C17H22N6OS/c24-16(13-3-1-2-4-13)21-14-9-20-23(12-14)17-18-10-15(11-19-17)22-5-7-25-8-6-22/h9-13H,1-8H2,(H,21,24)
InChIKeySXWSYRGTQMXLDV-UHFFFAOYSA-N
XLogP2.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide (CID 53168034) is N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1)C1CCCC1.
What is the InChIKey of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is SXWSYRGTQMXLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-16(13-3-1-2-4-13)21-14-9-20-23(12-14)17-18-10-15(11-19-17)22-5-7-25-8-6-22/h9-13H,1-8H2,(H,21,24).
What are the key properties of N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide?
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 53168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).