N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C149H203N29O15S5 — CID 160609332

IUPACN-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)C1CCOCC1.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)Cc1nn(C)cc1C.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.Cc1nn(C)cc1CNC(=O)c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.O=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C31H41N7O2S.C31H41N5O4S.C30H41N5O3S.C29H37N7O3S.C26H35N5O3S.2CH4/c1-21-19-37(4)35-28(21)20-36(3)22(2)24-6-5-7-25(18-24)23-8-13-38(14-9-23)31-33-27-12-17-41(39)29(27)30(34-31)32-26-10-15-40-16-11-26;37-30(36(25-4-5-25)26-10-17-40-18-11-26)23-3-1-2-22(20-23)21-6-13-35(14-7-21)31-33-27-12-19-41(38)28(27)29(34-31)32-24-8-15-39-16-9-24;1-21(34(2)26-10-17-38-18-11-26)23-4-3-5-24(20-23)22-6-13-35(14-7-22)30-32-27-12-19-39(36)28(27)29(33-30)31-25-8-15-37-16-9-25;1-19-23(18-35(2)34-19)17-30-28(37)22-5-3-4-21(16-22)20-6-11-36(12-7-20)29-32-25-10-15-40(38)26(25)27(33-29)31-24-8-13-39-14-9-24;1-18-4-6-19(7-5-18)26(17-34-3)11-13-31(14-12-26)25-28-21-10-15-35(33)23(21)24(29-25)27-20-8-9-22(32)30(2)16-20;;/h5-7,18-19,23,26H,2,8-17,20H2,1,3-4H3,(H,32,33,34);1-3,20-21,24-26H,4-19H2,(H,32,33,34);3-5,20,22,25-26H,1,6-19H2,2H3,(H,31,32,33);3-5,16,18,20,24H,6-15,17H2,1-2H3,(H,30,37)(H,31,32,33);4-7,20H,8-17H2,1-3H3,(H,27,28,29);2*1H4/t;;;;20-,35?;;/m....0../s1
InChIKeyRFHLVWOSYKCBOI-NNCLGRKFSA-N
MW2800.79 g/mol
LogP19.38
Rot. Bonds35

About N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 160609332) has the molecular formula C149H203N29O15S5 and a molecular weight of 2800.79 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID160609332
Molecular FormulaC149H203N29O15S5
Molecular Weight2800.79 g/mol
Exact Mass2798.46
IUPAC NameN-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)C1CCOCC1.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)Cc1nn(C)cc1C.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.Cc1nn(C)cc1CNC(=O)c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.O=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C31H41N7O2S.C31H41N5O4S.C30H41N5O3S.C29H37N7O3S.C26H35N5O3S.2CH4/c1-21-19-37(4)35-28(21)20-36(3)22(2)24-6-5-7-25(18-24)23-8-13-38(14-9-23)31-33-27-12-17-41(39)29(27)30(34-31)32-26-10-15-40-16-11-26;37-30(36(25-4-5-25)26-10-17-40-18-11-26)23-3-1-2-22(20-23)21-6-13-35(14-7-21)31-33-27-12-19-41(38)28(27)29(34-31)32-24-8-15-39-16-9-24;1-21(34(2)26-10-17-38-18-11-26)23-4-3-5-24(20-23)22-6-13-35(14-7-22)30-32-27-12-19-39(36)28(27)29(33-30)31-25-8-15-37-16-9-25;1-19-23(18-35(2)34-19)17-30-28(37)22-5-3-4-21(16-22)20-6-11-36(12-7-20)29-32-25-10-15-40(38)26(25)27(33-29)31-24-8-13-39-14-9-24;1-18-4-6-19(7-5-18)26(17-34-3)11-13-31(14-12-26)25-28-21-10-15-35(33)23(21)24(29-25)27-20-8-9-22(32)30(2)16-20;;/h5-7,18-19,23,26H,2,8-17,20H2,1,3-4H3,(H,32,33,34);1-3,20-21,24-26H,4-19H2,(H,32,33,34);3-5,20,22,25-26H,1,6-19H2,2H3,(H,31,32,33);3-5,16,18,20,24H,6-15,17H2,1-2H3,(H,30,37)(H,31,32,33);4-7,20H,8-17H2,1-3H3,(H,27,28,29);2*1H4/t;;;;20-,35?;;/m....0../s1
InChIKeyRFHLVWOSYKCBOI-NNCLGRKFSA-N
XLogP19.38
TPSA467.05 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002800.79
LogP ≤ 519.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]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 N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 160609332) is N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)C1CCOCC1.C=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C)Cc1nn(C)cc1C.COCC1(c2ccc(C)cc2)CCN(c2nc3c(c(N[C@H]4CCC(=O)N(C)C4)n2)S(=O)CC3)CC1.Cc1nn(C)cc1CNC(=O)c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1.O=C(c1cccc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)c1)N(C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RFHLVWOSYKCBOI-NNCLGRKFSA-N. The full InChI is InChI=1S/C31H41N7O2S.C31H41N5O4S.C30H41N5O3S.C29H37N7O3S.C26H35N5O3S.2CH4/c1-21-19-37(4)35-28(21)20-36(3)22(2)24-6-5-7-25(18-24)23-8-13-38(14-9-23)31-33-27-12-17-41(39)29(27)30(34-31)32-26-10-15-40-16-11-26;37-30(36(25-4-5-25)26-10-17-40-18-11-26)23-3-1-2-22(20-23)21-6-13-35(14-7-21)31-33-27-12-19-41(38)28(27)29(34-31)32-24-8-15-39-16-9-24;1-21(34(2)26-10-17-38-18-11-26)23-4-3-5-24(20-23)22-6-13-35(14-7-22)30-32-27-12-19-39(36)28(27)29(33-30)31-25-8-15-37-16-9-25;1-19-23(18-35(2)34-19)17-30-28(37)22-5-3-4-21(16-22)20-6-11-36(12-7-20)29-32-25-10-15-40(38)26(25)27(33-29)31-24-8-13-39-14-9-24;1-18-4-6-19(7-5-18)26(17-34-3)11-13-31(14-12-26)25-28-21-10-15-35(33)23(21)24(29-25)27-20-8-9-22(32)30(2)16-20;;/h5-7,18-19,23,26H,2,8-17,20H2,1,3-4H3,(H,32,33,34);1-3,20-21,24-26H,4-19H2,(H,32,33,34);3-5,20,22,25-26H,1,6-19H2,2H3,(H,31,32,33);3-5,16,18,20,24H,6-15,17H2,1-2H3,(H,30,37)(H,31,32,33);4-7,20H,8-17H2,1-3H3,(H,27,28,29);2*1H4/t;;;;20-,35?;;/m....0../s1.
What are the key properties of N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 2800.79 g/mol, XLogP of 19.38, 35 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxan-4-yl)-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;2-[4-[3-[1-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]benzamide;methane;(5S)-5-[[2-[4-(methoxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;2-[4-[3-[1-[methyl(oxan-4-yl)amino]ethenyl]phenyl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160609332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).