4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

C71H87Br2ClN14O13S6 — CID 159287592

IUPAC4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1
InChIInChI=1S/C30H41N5O5S2.C21H23BrN4O4S2.C17H18BrN5O2S.C3H5ClO2S/c1-19-24(17-34-9-7-22(8-10-34)30(2,3)36)26-27(41-19)25(32-29(33-26)35-11-13-40-14-12-35)20-15-21(28(39-4)31-16-20)18-42(37,38)23-5-6-23;1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-9-12(18)14-15(26-9)13(10-7-11(19)16(24-2)20-8-10)21-17(22-14)23-3-5-25-6-4-23;4-7(5,6)3-1-2-3/h15-16,22-23,36H,5-14,17-18H2,1-4H3;9-10,15H,3-8,11H2,1-2H3;7-8H,3-6,19H2,1-2H3;3H,1-2H2
InChIKeyKZSADJTYICEIMH-UHFFFAOYSA-N
MW1732.22 g/mol
LogP11.68
Rot. Bonds19

About 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 159287592) has the molecular formula C71H87Br2ClN14O13S6 and a molecular weight of 1732.22 g/mol. Its IUPAC name is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID159287592
Molecular FormulaC71H87Br2ClN14O13S6
Molecular Weight1732.22 g/mol
Exact Mass1728.30
IUPAC Name4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1
InChIInChI=1S/C30H41N5O5S2.C21H23BrN4O4S2.C17H18BrN5O2S.C3H5ClO2S/c1-19-24(17-34-9-7-22(8-10-34)30(2,3)36)26-27(41-19)25(32-29(33-26)35-11-13-40-14-12-35)20-15-21(28(39-4)31-16-20)18-42(37,38)23-5-6-23;1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-9-12(18)14-15(26-9)13(10-7-11(19)16(24-2)20-8-10)21-17(22-14)23-3-5-25-6-4-23;4-7(5,6)3-1-2-3/h15-16,22-23,36H,5-14,17-18H2,1-4H3;9-10,15H,3-8,11H2,1-2H3;7-8H,3-6,19H2,1-2H3;3H,1-2H2
InChIKeyKZSADJTYICEIMH-UHFFFAOYSA-N
XLogP11.68
TPSA333.02 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.22
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

N-[5-[7-[[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427967
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428511
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]cyclopropanesulfonamide
CID 122432282
1,1,1-trifluoro-N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
CID 122432295
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432390
N-[5-[7-[(4-tert-butylpiperazin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427959
N-[5-[7-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427960
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427970
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427973
N-[2-methoxy-5-[6-methyl-7-[[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427977
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-(2-piperidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427979
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427995

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 159287592) is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1.
What is the InChIKey of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is KZSADJTYICEIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O5S2.C21H23BrN4O4S2.C17H18BrN5O2S.C3H5ClO2S/c1-19-24(17-34-9-7-22(8-10-34)30(2,3)36)26-27(41-19)25(32-29(33-26)35-11-13-40-14-12-35)20-15-21(28(39-4)31-16-20)18-42(37,38)23-5-6-23;1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-9-12(18)14-15(26-9)13(10-7-11(19)16(24-2)20-8-10)21-17(22-14)23-3-5-25-6-4-23;4-7(5,6)3-1-2-3/h15-16,22-23,36H,5-14,17-18H2,1-4H3;9-10,15H,3-8,11H2,1-2H3;7-8H,3-6,19H2,1-2H3;3H,1-2H2.
What are the key properties of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 1732.22 g/mol, XLogP of 11.68, 19 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;5-(7-bromo-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;cyclopropanesulfonyl chloride;2-[1-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 159287592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).