2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C89H120N18O10S3 — CID 123986545

IUPAC2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC=C(NCc1c(C)nn(C)c1C)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)C1CC1.CN1CCC(N(C)C(=O)c2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2)CC1
InChIInChI=1S/C31H41N7O3S.C30H42N6O4S.C28H37N5O3S/c1-20(32-19-27-21(2)36-37(4)22(27)3)23-5-7-25(8-6-23)41-26-9-14-38(15-10-26)31-34-28-13-18-42(39)29(28)30(35-31)33-24-11-16-40-17-12-24;1-34-14-7-23(8-15-34)35(2)29(37)21-3-5-24(6-4-21)40-25-9-16-36(17-10-25)30-32-26-13-20-41(38)27(26)28(33-30)31-22-11-18-39-19-12-22;1-19(32(2)22-5-6-22)20-3-7-23(8-4-20)36-24-9-14-33(15-10-24)28-30-25-13-18-37(34)26(25)27(31-28)29-21-11-16-35-17-12-21/h5-8,24,26,32H,1,9-19H2,2-4H3,(H,33,34,35);3-6,22-23,25H,7-20H2,1-2H3,(H,31,32,33);3-4,7-8,21-22,24H,1,5-6,9-18H2,2H3,(H,29,30,31)
InChIKeyBLRHGFZKHYUJCU-UHFFFAOYSA-N
MW1698.26 g/mol
LogP10.68
Rot. Bonds24

About 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 123986545) has the molecular formula C89H120N18O10S3 and a molecular weight of 1698.26 g/mol. Its IUPAC name is 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID123986545
Molecular FormulaC89H120N18O10S3
Molecular Weight1698.26 g/mol
Exact Mass1696.86
IUPAC Name2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC=C(NCc1c(C)nn(C)c1C)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)C1CC1.CN1CCC(N(C)C(=O)c2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2)CC1
InChIInChI=1S/C31H41N7O3S.C30H42N6O4S.C28H37N5O3S/c1-20(32-19-27-21(2)36-37(4)22(27)3)23-5-7-25(8-6-23)41-26-9-14-38(15-10-26)31-34-28-13-18-42(39)29(28)30(35-31)33-24-11-16-40-17-12-24;1-34-14-7-23(8-15-34)35(2)29(37)21-3-5-24(6-4-21)40-25-9-16-36(17-10-25)30-32-26-13-20-41(38)27(26)28(33-30)31-22-11-18-39-19-12-22;1-19(32(2)22-5-6-22)20-3-7-23(8-4-20)36-24-9-14-33(15-10-24)28-30-25-13-18-37(34)26(25)27(31-28)29-21-11-16-35-17-12-21/h5-8,24,26,32H,1,9-19H2,2-4H3,(H,33,34,35);3-6,22-23,25H,7-20H2,1-2H3,(H,31,32,33);3-4,7-8,21-22,24H,1,5-6,9-18H2,2H3,(H,29,30,31)
InChIKeyBLRHGFZKHYUJCU-UHFFFAOYSA-N
XLogP10.68
TPSA286.38 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.26
LogP ≤ 510.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-Cyclopropyl-N-Methyl-4-{1-[5-Oxo-4-(Tetrahydropyran-4-Ylamino)-6,7-Dihydro-5H-5lambda4-Thieno[3,2-d]Pyrimidin-2-Yl]-Piperidin-4-Yloxy}-Benzamide
CID 46913023
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide
CID 58117552
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
CID 58117565
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
CID 58117582
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide
CID 58117640
N-methyl-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
CID 58117766
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide
CID 58117799
4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 58117860
Morpholin-4-yl-[4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 58117865
N-[(1,4-dimethylpyrazol-3-yl)methyl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide
CID 68217141
N-methyl-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxy-N-piperidin-4-ylbenzamide
CID 90360765
N-[(3E)-4-amino-3-(methylaminomethylidene)pentan-2-yl]-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide
CID 90360814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 123986545) is 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C=C(NCc1c(C)nn(C)c1C)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)C1CC1.CN1CCC(N(C)C(=O)c2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BLRHGFZKHYUJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O3S.C30H42N6O4S.C28H37N5O3S/c1-20(32-19-27-21(2)36-37(4)22(27)3)23-5-7-25(8-6-23)41-26-9-14-38(15-10-26)31-34-28-13-18-42(39)29(28)30(35-31)33-24-11-16-40-17-12-24;1-34-14-7-23(8-15-34)35(2)29(37)21-3-5-24(6-4-21)40-25-9-16-36(17-10-25)30-32-26-13-20-41(38)27(26)28(33-30)31-22-11-18-39-19-12-22;1-19(32(2)22-5-6-22)20-3-7-23(8-4-20)36-24-9-14-33(15-10-24)28-30-25-13-18-37(34)26(25)27(31-28)29-21-11-16-35-17-12-21/h5-8,24,26,32H,1,9-19H2,2-4H3,(H,33,34,35);3-6,22-23,25H,7-20H2,1-2H3,(H,31,32,33);3-4,7-8,21-22,24H,1,5-6,9-18H2,2H3,(H,29,30,31).
What are the key properties of 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1698.26 g/mol, XLogP of 10.68, 24 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-[cyclopropyl(methyl)amino]ethenyl]phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]oxybenzamide;N-(oxan-4-yl)-5-oxo-2-[4-[4-[1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethenyl]phenoxy]piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 123986545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).