N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C24H23FN6OS2 — CID 70804596

IUPACN-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc(-c5cccs5)n[nH]4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C24H23FN6OS2/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-34(22)32)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-33-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28)
InChIKeyARWKHFGHDOUTHB-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.86
Rot. Bonds5

About N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 70804596) has the molecular formula C24H23FN6OS2 and a molecular weight of 494.62 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID70804596
Molecular FormulaC24H23FN6OS2
Molecular Weight494.62 g/mol
Exact Mass494.14
IUPAC NameN-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc(-c5cccs5)n[nH]4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C24H23FN6OS2/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-34(22)32)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-33-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28)
InChIKeyARWKHFGHDOUTHB-UHFFFAOYSA-N
XLogP4.86
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 70804596) is N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4cc(-c5cccs5)n[nH]4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ARWKHFGHDOUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS2/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-34(22)32)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-33-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 494.62 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 70804596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).