N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C104H132N36O8S4 — CID 157253172

About N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 157253172) has the molecular formula C104H132N36O8S4 and a molecular weight of 2142.71 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 157253172
• Molecular Formula: C104H132N36O8S4
• Molecular Weight: 2142.71 g/mol
• Exact Mass: 2140.99
• IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-n3nc(N(C)C)c4cc(C)sc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(N(C)C)c4ccsc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(NC)c4cc(C)sc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(NC)c4ccsc43)n2)c(OC)cc1N(C)CCN(C)C
• InChI: InChI=1S/C27H35N9O2S.2C26H33N9O2S.C25H31N9O2S/c1-9-24(37)29-19-15-20(22(38-8)16-21(19)35(7)13-12-33(3)4)30-27-28-11-10-23(31-27)36-26-18(14-17(2)39-26)25(32-36)34(5)6;1-8-23(36)28-18-15-19(21(37-7)16-20(18)34(6)13-12-32(2)3)29-26-27-11-9-22(30-26)35-25-17(10-14-38-25)24(31-35)33(4)5;1-8-23(36)29-18-14-19(21(37-7)15-20(18)34(6)12-11-33(4)5)30-26-28-10-9-22(31-26)35-25-17(13-16(2)38-25)24(27-3)32-35;1-7-22(35)28-17-14-18(20(36-6)15-19(17)33(5)12-11-32(3)4)29-25-27-10-8-21(30-25)34-24-16(9-13-37-24)23(26-2)31-34/h9-11,14-16H,1,12-13H2,2-8H3,(H,29,37)(H,28,30,31);8-11,14-16H,1,12-13H2,2-7H3,(H,28,36)(H,27,29,30);8-10,13-15H,1,11-12H2,2-7H3,(H,27,32)(H,29,36)(H,28,30,31);7-10,13-15H,1,11-12H2,2-6H3,(H,26,31)(H,28,35)(H,27,29,30)
• InChIKey: AWOMTKDZTICXBH-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 432.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.71
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 157253172) is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-n3nc(N(C)C)c4cc(C)sc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(N(C)C)c4ccsc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(NC)c4cc(C)sc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(NC)c4ccsc43)n2)c(OC)cc1N(C)CCN(C)C.

What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

The InChIKey is AWOMTKDZTICXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9O2S.2C26H33N9O2S.C25H31N9O2S/c1-9-24(37)29-19-15-20(22(38-8)16-21(19)35(7)13-12-33(3)4)30-27-28-11-10-23(31-27)36-26-18(14-17(2)39-26)25(32-36)34(5)6;1-8-23(36)28-18-15-19(21(37-7)16-20(18)34(6)13-12-32(2)3)29-26-27-11-9-22(30-26)35-25-17(10-14-38-25)24(31-35)33(4)5;1-8-23(36)29-18-14-19(21(37-7)15-20(18)34(6)12-11-33(4)5)30-26-28-10-9-22(31-26)35-25-17(13-16(2)38-25)24(27-3)32-35;1-7-22(35)28-17-14-18(20(36-6)15-19(17)33(5)12-11-32(3)4)29-25-27-10-8-21(30-25)34-24-16(9-13-37-24)23(26-2)31-34/h9-11,14-16H,1,12-13H2,2-8H3,(H,29,37)(H,28,30,31);8-11,14-16H,1,12-13H2,2-7H3,(H,28,36)(H,27,29,30);8-10,13-15H,1,11-12H2,2-7H3,(H,27,32)(H,29,36)(H,28,30,31);7-10,13-15H,1,11-12H2,2-6H3,(H,26,31)(H,28,35)(H,27,29,30).

What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2142.71 g/mol, XLogP of 15.84, 44 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)-5-methylthieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[3-(dimethylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[5-methyl-3-(methylamino)thieno[3,2-d]pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 157253172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).