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

C24H25FN6O2S — CID 162156272

IUPACN-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCC2=C1C(Nc1cccc(F)c1)=NC(N1CCC(c3cc(-c4ccco4)n[nH]3)CC1)N2
InChIInChI=1S/C24H25FN6O2S/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/h1-5,11,13-15,24,27H,6-10,12H2,(H,26,28)(H,29,30)
InChIKeyZLWDGRJDHCWYKE-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.75
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 162156272) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[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]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID162156272
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC NameN-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCC2=C1C(Nc1cccc(F)c1)=NC(N1CCC(c3cc(-c4ccco4)n[nH]3)CC1)N2
InChIInChI=1S/C24H25FN6O2S/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/h1-5,11,13-15,24,27H,6-10,12H2,(H,26,28)(H,29,30)
InChIKeyZLWDGRJDHCWYKE-UHFFFAOYSA-N
XLogP3.75
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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]-5-oxo-1,2,6,7-tetrahydrothieno[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]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine (CID 162156272) is N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[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]-5-oxo-1,2,6,7-tetrahydrothieno[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]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCC2=C1C(Nc1cccc(F)c1)=NC(N1CCC(c3cc(-c4ccco4)n[nH]3)CC1)N2.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZLWDGRJDHCWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/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/h1-5,11,13-15,24,27H,6-10,12H2,(H,26,28)(H,29,30).
What are the key properties of N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 480.57 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 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]-5-oxo-1,2,6,7-tetrahydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 162156272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).