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

C23H28N6O3S — CID 25271277

IUPAC2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H28N6O3S/c30-33-13-7-17-21(33)22(24-16-5-11-31-12-6-16)26-23(25-17)29-8-3-15(4-9-29)18-14-19(28-27-18)20-2-1-10-32-20/h1-2,10,14-16H,3-9,11-13H2,(H,27,28)(H,24,25,26)
InChIKeyLKSYSXZNJDXSBI-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.10
Rot. Bonds5

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

2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 25271277) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID25271277
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H28N6O3S/c30-33-13-7-17-21(33)22(24-16-5-11-31-12-6-16)26-23(25-17)29-8-3-15(4-9-29)18-14-19(28-27-18)20-2-1-10-32-20/h1-2,10,14-16H,3-9,11-13H2,(H,27,28)(H,24,25,26)
InChIKeyLKSYSXZNJDXSBI-UHFFFAOYSA-N
XLogP3.10
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 25271277) is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LKSYSXZNJDXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c30-33-13-7-17-21(33)22(24-16-5-11-31-12-6-16)26-23(25-17)29-8-3-15(4-9-29)18-14-19(28-27-18)20-2-1-10-32-20/h1-2,10,14-16H,3-9,11-13H2,(H,27,28)(H,24,25,26).
What are the key properties of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 468.58 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25271277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).