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

C24H23FN6OS — CID 143791835

IUPACN-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc3c2SCC3)c1
InChIInChI=1S/C24H23FN6OS/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-33-22)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-32-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28)
InChIKeyDJGANDVRRGTJKM-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.37
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 143791835) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID143791835
Molecular FormulaC24H23FN6OS
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC NameN-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc3c2SCC3)c1
InChIInChI=1S/C24H23FN6OS/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-33-22)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-32-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28)
InChIKeyDJGANDVRRGTJKM-UHFFFAOYSA-N
XLogP5.37
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[3-(furan-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)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 143791835) is N-(3-fluorophenyl)-2-[4-[3-(furan-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)-2-[4-[3-(furan-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)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Fc1cccc(Nc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc3c2SCC3)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DJGANDVRRGTJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6OS/c25-16-3-1-4-17(13-16)26-23-22-18(8-12-33-22)27-24(28-23)31-9-6-15(7-10-31)19-14-20(30-29-19)21-5-2-11-32-21/h1-5,11,13-15H,6-10,12H2,(H,29,30)(H,26,27,28).
What are the key properties of N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 462.55 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 143791835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).