1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol

C127H127Cl5N18O14S3 — CID 157118201

About 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol

1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 157118201) has the molecular formula C127H127Cl5N18O14S3 and a molecular weight of 2402.99 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

• Compound Name: 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
• PubChem CID: 157118201
• Molecular Formula: C127H127Cl5N18O14S3
• Molecular Weight: 2402.99 g/mol
• Exact Mass: 2398.74
• IUPAC Name: 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
• SMILES: CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCC(C5=CN=CC5)CC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C)(c3onc5c3CNCC5)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCC(N(C)C)C5)C4)c2s1.CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.OCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1
• InChI: InChI=1S/C28H28ClN3O3S.C27H30ClN5O2S.C26H27ClN2O3.C25H24ClN3O3S.C21H18ClN5O3/c1-2-23(33)25-14-22-27(36-25)20(4-8-31-22)21-13-19(29)11-18-12-24(35-26(18)21)28(34)32-9-5-16(6-10-32)17-3-7-30-15-17;1-5-21(34)23-12-20-27(36-23)24(30-13-29-20)18-10-15(28)8-14-9-22(35-26(14)18)25-17-11-16(32(2)3)6-7-19(17)31-33(25)4;1-2-23(30)16-6-7-20-19(8-9-28-22(20)13-16)21-15-18(27)12-17-14-24(32-25(17)21)26(31)29-10-4-3-5-11-29;1-3-20(30)21-10-19-23(33-21)15(4-7-28-19)16-9-14(26)8-13-11-25(2,31-22(13)16)24-17-12-27-6-5-18(17)29-32-24;22-12-5-11-6-18(21-15-9-23-3-1-16(15)26-30-21)29-20(11)14(7-12)17-2-4-24-19-8-13(10-28)25-27(17)19/h4,7-8,11,13-16,23-24,33H,2-3,5-6,9-10,12H2,1H3;8,10,12-13,16,21-22,34H,5-7,9,11H2,1-4H3;6-9,12-13,15,23-24,30H,2-5,10-11,14H2,1H3;4,7-10,20,27,30H,3,5-6,11-12H2,1-2H3;2,4-5,7-8,18,23,28H,1,3,6,9-10H2
• InChIKey: AHQMZJBBNGJWSP-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 392.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.99
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?

The IUPAC name of 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol (CID 157118201) is 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol.

What is the SMILES notation for 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?

The canonical SMILES for 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol is CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCC(C5=CN=CC5)CC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C)(c3onc5c3CNCC5)C4)c2s1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3c5c(nn3C)CCC(N(C)C)C5)C4)c2s1.CCC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.OCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.

What is the InChIKey of 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?

The InChIKey is AHQMZJBBNGJWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3S.C27H30ClN5O2S.C26H27ClN2O3.C25H24ClN3O3S.C21H18ClN5O3/c1-2-23(33)25-14-22-27(36-25)20(4-8-31-22)21-13-19(29)11-18-12-24(35-26(18)21)28(34)32-9-5-16(6-10-32)17-3-7-30-15-17;1-5-21(34)23-12-20-27(36-23)24(30-13-29-20)18-10-15(28)8-14-9-22(35-26(14)18)25-17-11-16(32(2)3)6-7-19(17)31-33(25)4;1-2-23(30)16-6-7-20-19(8-9-28-22(20)13-16)21-15-18(27)12-17-14-24(32-25(17)21)26(31)29-10-4-3-5-11-29;1-3-20(30)21-10-19-23(33-21)15(4-7-28-19)16-9-14(26)8-13-11-25(2,31-22(13)16)24-17-12-27-6-5-18(17)29-32-24;22-12-5-11-6-18(21-15-9-23-3-1-16(15)26-30-21)29-20(11)14(7-12)17-2-4-24-19-8-13(10-28)25-27(17)19/h4,7-8,11,13-16,23-24,33H,2-3,5-6,9-10,12H2,1H3;8,10,12-13,16,21-22,34H,5-7,9,11H2,1-4H3;6-9,12-13,15,23-24,30H,2-5,10-11,14H2,1H3;4,7-10,20,27,30H,3,5-6,11-12H2,1-2H3;2,4-5,7-8,18,23,28H,1,3,6,9-10H2.

What are the key properties of 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?

1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 2402.99 g/mol, XLogP of 24.95, 21 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 157118201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).