N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C18H25FN6O2 — CID 165385587

IUPACN-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCCn1cc(Nc2ncc(F)c(OCC3CCC(NC(C)=O)CC3)n2)cn1
InChIInChI=1S/C18H25FN6O2/c1-3-25-10-15(8-21-25)23-18-20-9-16(19)17(24-18)27-11-13-4-6-14(7-5-13)22-12(2)26/h8-10,13-14H,3-7,11H2,1-2H3,(H,22,26)(H,20,23,24)
InChIKeyPSEBZJNGTOMVOH-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.65
Rot. Bonds7

About N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385587) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385587
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC NameN-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCCn1cc(Nc2ncc(F)c(OCC3CCC(NC(C)=O)CC3)n2)cn1
InChIInChI=1S/C18H25FN6O2/c1-3-25-10-15(8-21-25)23-18-20-9-16(19)17(24-18)27-11-13-4-6-14(7-5-13)22-12(2)26/h8-10,13-14H,3-7,11H2,1-2H3,(H,22,26)(H,20,23,24)
InChIKeyPSEBZJNGTOMVOH-UHFFFAOYSA-N
XLogP2.65
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide with MolForge

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Related Compounds

US11578061, Example 217
CID 165385515
US11578061, Example 43
CID 165385516
US11578061, Example 210
CID 165385529
US11578061, Example 220
CID 165385530
US11578061, Example 194
CID 165385531
US11578061, Example 216
CID 165385536
US11578061, Example 186
CID 165385537
US11578061, Example 198
CID 165385538
US11578061, Example 207
CID 165385547
US11578061, Example 218
CID 165385553
US11578061, Example 196
CID 165385557
US11578061, Example 224
CID 165385569

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385587) is N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is CCn1cc(Nc2ncc(F)c(OCC3CCC(NC(C)=O)CC3)n2)cn1.
What is the InChIKey of N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is PSEBZJNGTOMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-3-25-10-15(8-21-25)23-18-20-9-16(19)17(24-18)27-11-13-4-6-14(7-5-13)22-12(2)26/h8-10,13-14H,3-7,11H2,1-2H3,(H,22,26)(H,20,23,24).
What are the key properties of N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).