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

C23H27N7O3S — CID 58117773

IUPACN-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H27N7O3S/c31-34-13-7-18-19(34)21(25-17-5-11-32-12-6-17)28-23(26-18)30-9-3-15(4-10-30)22-27-20(29-33-22)16-2-1-8-24-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,25,26,28)
InChIKeyBXJNGKJKIPDCAH-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.56
Rot. Bonds5

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

N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117773) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117773
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC NameN-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C23H27N7O3S/c31-34-13-7-18-19(34)21(25-17-5-11-32-12-6-17)28-23(26-18)30-9-3-15(4-10-30)22-27-20(29-33-22)16-2-1-8-24-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,25,26,28)
InChIKeyBXJNGKJKIPDCAH-UHFFFAOYSA-N
XLogP2.56
TPSA119.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-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-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117773) is N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4nc(-c5cccnc5)no4)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BXJNGKJKIPDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c31-34-13-7-18-19(34)21(25-17-5-11-32-12-6-17)28-23(26-18)30-9-3-15(4-10-30)22-27-20(29-33-22)16-2-1-8-24-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,25,26,28).
What are the key properties of N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 481.58 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).