2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide

C25H24FN5OS — CID 24592338

IUPAC2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1)Nc1ccccc1
InChIInChI=1S/C25H24FN5OS/c26-18-8-6-17(7-9-18)21-15-33-25-23(21)24(27-16-28-25)30-20-10-12-31(13-11-20)14-22(32)29-19-4-2-1-3-5-19/h1-9,15-16,20H,10-14H2,(H,29,32)(H,27,28,30)
InChIKeyWXIJRNGXWQFNFG-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.01
Rot. Bonds6

About 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 24592338) has the molecular formula C25H24FN5OS and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID24592338
Molecular FormulaC25H24FN5OS
Molecular Weight461.57 g/mol
Exact Mass461.17
IUPAC Name2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1)Nc1ccccc1
InChIInChI=1S/C25H24FN5OS/c26-18-8-6-17(7-9-18)21-15-33-25-23(21)24(27-16-28-25)30-20-10-12-31(13-11-20)14-22(32)29-19-4-2-1-3-5-19/h1-9,15-16,20H,10-14H2,(H,29,32)(H,27,28,30)
InChIKeyWXIJRNGXWQFNFG-UHFFFAOYSA-N
XLogP5.01
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 24623746
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
1-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 39967644
5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 60503194
ethyl 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 110496287
1-[4-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 52943730
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-phenylacetamide
CID 1075053
5-amino-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 82022196
N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide (CID 24592338) is 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is WXIJRNGXWQFNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5OS/c26-18-8-6-17(7-9-18)21-15-33-25-23(21)24(27-16-28-25)30-20-10-12-31(13-11-20)14-22(32)29-19-4-2-1-3-5-19/h1-9,15-16,20H,10-14H2,(H,29,32)(H,27,28,30).
What are the key properties of 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 461.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 24592338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).