N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C24H23FN4O2S — CID 58117579

IUPACN-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC4(CC3)OCc3ccccc34)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C24H23FN4O2S/c25-17-5-3-6-18(14-17)26-22-21-20(8-13-32(21)30)27-23(28-22)29-11-9-24(10-12-29)19-7-2-1-4-16(19)15-31-24/h1-7,14H,8-13,15H2,(H,26,27,28)
InChIKeyOJCCZBDEPPUZPT-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.05
Rot. Bonds3

About N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117579) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117579
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC4(CC3)OCc3ccccc34)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C24H23FN4O2S/c25-17-5-3-6-18(14-17)26-22-21-20(8-13-32(21)30)27-23(28-22)29-11-9-24(10-12-29)19-7-2-1-4-16(19)15-31-24/h1-7,14H,8-13,15H2,(H,26,27,28)
InChIKeyOJCCZBDEPPUZPT-UHFFFAOYSA-N
XLogP4.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-fluorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 25266377
4-(3,5-difluorophenyl)-1-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 25266728
4-(3,5-Difluorophenyl)-1-[4-[[1-(hydroxymethyl)cyclopropyl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 25267790
4-(3,5-Difluorophenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 25269567
1'-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 25270235
3-[1-[4-(3-Fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]phenol
CID 25270586
2-[4-(2,4-difluorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 46912750
2-[4-(2-ethyl-6-fluoro-3H-inden-1-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58080365
2-[4-(3-fluorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58117553
N-(3-fluorophenyl)-5-oxo-2-(4-phenylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58117591
1-[4-(3-Fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(3-fluoro-5-methylphenyl)piperidin-4-ol
CID 58117598
4-(3-Fluoro-5-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 58117605

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117579) is N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC4(CC3)OCc3ccccc34)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OJCCZBDEPPUZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c25-17-5-3-6-18(14-17)26-22-21-20(8-13-32(21)30)27-23(28-22)29-11-9-24(10-12-29)19-7-2-1-4-16(19)15-31-24/h1-7,14H,8-13,15H2,(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 450.54 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).