2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile

C93H114ClFN18O8S4 — CID 158942301

IUPAC2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
SMILESC.C.Cc1coc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)n1.N#CC1(c2ccccc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(C4=CCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4cccc(Cl)c4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C26H25FN4OS.C23H27N5O2S.C22H27ClN4O2S.C20H27N5O3S.2CH4/c27-19-5-3-6-20(16-19)28-25-24-23(12-15-33(24)32)29-26(30-25)31-13-10-18(11-14-31)22-9-8-17-4-1-2-7-21(17)22;24-16-23(17-4-2-1-3-5-17)9-11-28(12-10-23)22-26-19-8-15-31(29)20(19)21(27-22)25-18-6-13-30-14-7-18;23-17-3-1-2-16(14-17)15-4-9-27(10-5-15)22-25-19-8-13-30(28)20(19)21(26-22)24-18-6-11-29-12-7-18;1-13-12-28-19(21-13)14-2-7-25(8-3-14)20-23-16-6-11-29(26)17(16)18(24-20)22-15-4-9-27-10-5-15;;/h1-7,9,16,18H,8,10-15H2,(H,28,29,30);1-5,18H,6-15H2,(H,25,26,27);1-3,14-15,18H,4-13H2,(H,24,25,26);12,14-15H,2-11H2,1H3,(H,22,23,24);2*1H4
InChIKeyJKKBCRPHFSXRFC-UHFFFAOYSA-N
MW1794.77 g/mol
LogP15.12
Rot. Bonds16

About 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile

2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 158942301) has the molecular formula C93H114ClFN18O8S4 and a molecular weight of 1794.77 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID158942301
Molecular FormulaC93H114ClFN18O8S4
Molecular Weight1794.77 g/mol
Exact Mass1792.76
IUPAC Name2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile
SMILESC.C.Cc1coc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)n1.N#CC1(c2ccccc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(C4=CCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4cccc(Cl)c4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C26H25FN4OS.C23H27N5O2S.C22H27ClN4O2S.C20H27N5O3S.2CH4/c27-19-5-3-6-20(16-19)28-25-24-23(12-15-33(24)32)29-26(30-25)31-13-10-18(11-14-31)22-9-8-17-4-1-2-7-21(17)22;24-16-23(17-4-2-1-3-5-17)9-11-28(12-10-23)22-26-19-8-15-31(29)20(19)21(27-22)25-18-6-13-30-14-7-18;23-17-3-1-2-16(14-17)15-4-9-27(10-5-15)22-25-19-8-13-30(28)20(19)21(26-22)24-18-6-11-29-12-7-18;1-13-12-28-19(21-13)14-2-7-25(8-3-14)20-23-16-6-11-29(26)17(16)18(24-20)22-15-4-9-27-10-5-15;;/h1-7,9,16,18H,8,10-15H2,(H,28,29,30);1-5,18H,6-15H2,(H,25,26,27);1-3,14-15,18H,4-13H2,(H,24,25,26);12,14-15H,2-11H2,1H3,(H,22,23,24);2*1H4
InChIKeyJKKBCRPHFSXRFC-UHFFFAOYSA-N
XLogP15.12
TPSA309.99 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.77
LogP ≤ 515.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile (CID 158942301) is 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile is C.C.Cc1coc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)n1.N#CC1(c2ccccc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.O=S1CCc2nc(N3CCC(C4=CCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21.O=S1CCc2nc(N3CCC(c4cccc(Cl)c4)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is JKKBCRPHFSXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4OS.C23H27N5O2S.C22H27ClN4O2S.C20H27N5O3S.2CH4/c27-19-5-3-6-20(16-19)28-25-24-23(12-15-33(24)32)29-26(30-25)31-13-10-18(11-14-31)22-9-8-17-4-1-2-7-21(17)22;24-16-23(17-4-2-1-3-5-17)9-11-28(12-10-23)22-26-19-8-15-31(29)20(19)21(27-22)25-18-6-13-30-14-7-18;23-17-3-1-2-16(14-17)15-4-9-27(10-5-15)22-25-19-8-13-30(28)20(19)21(26-22)24-18-6-11-29-12-7-18;1-13-12-28-19(21-13)14-2-7-25(8-3-14)20-23-16-6-11-29(26)17(16)18(24-20)22-15-4-9-27-10-5-15;;/h1-7,9,16,18H,8,10-15H2,(H,28,29,30);1-5,18H,6-15H2,(H,25,26,27);1-3,14-15,18H,4-13H2,(H,24,25,26);12,14-15H,2-11H2,1H3,(H,22,23,24);2*1H4.
What are the key properties of 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile?
2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 1794.77 g/mol, XLogP of 15.12, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-2-[4-(3H-inden-1-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 158942301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).