N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C183H251N33O23S6 — CID 158277692

IUPACN-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C.C=C(NC(C)(C)c1ccncc1)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C)C1CCOCC1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N1CCOCC1.CC(C)N1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.Cc1cn(C)nc1CN(C)C(=O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.O=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C32H40N6O3S.C31H41N5O5S.C30H39N7O4S.C30H41N5O4S.C29H41N5O3S.C28H37N5O4S.3CH4/c1-22(37-32(2,3)24-8-15-33-16-9-24)23-4-6-26(7-5-23)41-27-10-17-38(18-11-27)31-35-28-14-21-42(39)29(28)30(36-31)34-25-12-19-40-20-13-25;37-30(36(23-3-4-23)24-11-18-40-19-12-24)21-1-5-25(6-2-21)41-26-7-14-35(15-8-26)31-33-27-13-20-42(38)28(27)29(34-31)32-22-9-16-39-17-10-22;1-20-18-36(3)34-26(20)19-35(2)29(38)21-4-6-23(7-5-21)41-24-8-13-37(14-9-24)30-32-25-12-17-42(39)27(25)28(33-30)31-22-10-15-40-16-11-22;1-21(34(2)24-11-18-38-19-12-24)22-3-5-25(6-4-22)39-26-7-14-35(15-8-26)30-32-27-13-20-40(36)28(27)29(33-30)31-23-9-16-37-17-10-23;1-20(2)33-12-5-21-3-4-25(19-22(21)6-13-33)37-24-7-14-34(15-8-24)29-31-26-11-18-38(35)27(26)28(32-29)30-23-9-16-36-17-10-23;1-20(32-13-17-36-18-14-32)21-2-4-23(5-3-21)37-24-6-11-33(12-7-24)28-30-25-10-19-38(34)26(25)27(31-28)29-22-8-15-35-16-9-22;;;/h4-9,15-16,25,27,37H,1,10-14,17-21H2,2-3H3,(H,34,35,36);1-2,5-6,22-24,26H,3-4,7-20H2,(H,32,33,34);4-7,18,22,24H,8-17,19H2,1-3H3,(H,31,32,33);3-6,23-24,26H,1,7-20H2,2H3,(H,31,32,33);3-4,19-20,23-24H,5-18H2,1-2H3,(H,30,31,32);2-5,22,24H,1,6-19H2,(H,29,30,31);3*1H4
InChIKeyGJUUMQNHFMIHMM-UHFFFAOYSA-N
MW3473.63 g/mol
LogP23.76
Rot. Bonds46

About N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158277692) has the molecular formula C183H251N33O23S6 and a molecular weight of 3473.63 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID158277692
Molecular FormulaC183H251N33O23S6
Molecular Weight3473.63 g/mol
Exact Mass3470.78
IUPAC NameN-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C.C=C(NC(C)(C)c1ccncc1)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C)C1CCOCC1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N1CCOCC1.CC(C)N1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.Cc1cn(C)nc1CN(C)C(=O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.O=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C1CCOCC1)C1CC1
InChIInChI=1S/C32H40N6O3S.C31H41N5O5S.C30H39N7O4S.C30H41N5O4S.C29H41N5O3S.C28H37N5O4S.3CH4/c1-22(37-32(2,3)24-8-15-33-16-9-24)23-4-6-26(7-5-23)41-27-10-17-38(18-11-27)31-35-28-14-21-42(39)29(28)30(36-31)34-25-12-19-40-20-13-25;37-30(36(23-3-4-23)24-11-18-40-19-12-24)21-1-5-25(6-2-21)41-26-7-14-35(15-8-26)31-33-27-13-20-42(38)28(27)29(34-31)32-22-9-16-39-17-10-22;1-20-18-36(3)34-26(20)19-35(2)29(38)21-4-6-23(7-5-21)41-24-8-13-37(14-9-24)30-32-25-12-17-42(39)27(25)28(33-30)31-22-10-15-40-16-11-22;1-21(34(2)24-11-18-38-19-12-24)22-3-5-25(6-4-22)39-26-7-14-35(15-8-26)30-32-27-13-20-40(36)28(27)29(33-30)31-23-9-16-37-17-10-23;1-20(2)33-12-5-21-3-4-25(19-22(21)6-13-33)37-24-7-14-34(15-8-24)29-31-26-11-18-38(35)27(26)28(32-29)30-23-9-16-36-17-10-23;1-20(32-13-17-36-18-14-32)21-2-4-23(5-3-21)37-24-6-11-33(12-7-24)28-30-25-10-19-38(34)26(25)27(31-28)29-22-8-15-35-16-9-22;;;/h4-9,15-16,25,27,37H,1,10-14,17-21H2,2-3H3,(H,34,35,36);1-2,5-6,22-24,26H,3-4,7-20H2,(H,32,33,34);4-7,18,22,24H,8-17,19H2,1-3H3,(H,31,32,33);3-6,23-24,26H,1,7-20H2,2H3,(H,31,32,33);3-4,19-20,23-24H,5-18H2,1-2H3,(H,30,31,32);2-5,22,24H,1,6-19H2,(H,29,30,31);3*1H4
InChIKeyGJUUMQNHFMIHMM-UHFFFAOYSA-N
XLogP23.76
TPSA580.25 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds46
Heavy Atoms245
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003473.63
LogP ≤ 523.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]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-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158277692) is N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C.C=C(NC(C)(C)c1ccncc1)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C)C1CCOCC1.C=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N1CCOCC1.CC(C)N1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.Cc1cn(C)nc1CN(C)C(=O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.O=C(c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1)N(C1CCOCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GJUUMQNHFMIHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O3S.C31H41N5O5S.C30H39N7O4S.C30H41N5O4S.C29H41N5O3S.C28H37N5O4S.3CH4/c1-22(37-32(2,3)24-8-15-33-16-9-24)23-4-6-26(7-5-23)41-27-10-17-38(18-11-27)31-35-28-14-21-42(39)29(28)30(36-31)34-25-12-19-40-20-13-25;37-30(36(23-3-4-23)24-11-18-40-19-12-24)21-1-5-25(6-2-21)41-26-7-14-35(15-8-26)31-33-27-13-20-42(38)28(27)29(34-31)32-22-9-16-39-17-10-22;1-20-18-36(3)34-26(20)19-35(2)29(38)21-4-6-23(7-5-21)41-24-8-13-37(14-9-24)30-32-25-12-17-42(39)27(25)28(33-30)31-22-10-15-40-16-11-22;1-21(34(2)24-11-18-38-19-12-24)22-3-5-25(6-4-22)39-26-7-14-35(15-8-26)30-32-27-13-20-40(36)28(27)29(33-30)31-23-9-16-37-17-10-23;1-20(2)33-12-5-21-3-4-25(19-22(21)6-13-33)37-24-7-14-34(15-8-24)29-31-26-11-18-38(35)27(26)28(32-29)30-23-9-16-36-17-10-23;1-20(32-13-17-36-18-14-32)21-2-4-23(5-3-21)37-24-6-11-33(12-7-24)28-30-25-10-19-38(34)26(25)27(31-28)29-22-8-15-35-16-9-22;;;/h4-9,15-16,25,27,37H,1,10-14,17-21H2,2-3H3,(H,34,35,36);1-2,5-6,22-24,26H,3-4,7-20H2,(H,32,33,34);4-7,18,22,24H,8-17,19H2,1-3H3,(H,31,32,33);3-6,23-24,26H,1,7-20H2,2H3,(H,31,32,33);3-4,19-20,23-24H,5-18H2,1-2H3,(H,30,31,32);2-5,22,24H,1,6-19H2,(H,29,30,31);3*1H4.
What are the key properties of N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 3473.63 g/mol, XLogP of 23.76, 46 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxan-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;methane;2-[4-[4-[1-[methyl(oxan-4-yl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-[4-(1-morpholin-4-ylethenyl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[(3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-(2-pyridin-4-ylpropan-2-ylamino)ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158277692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).