[7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole

C128H125Cl6N17O13 — CID 158277613

About [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole

[7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole (PubChem CID 158277613) has the molecular formula C128H125Cl6N17O13 and a molecular weight of 2322.23 g/mol. Its IUPAC name is [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole.

Molecular Properties

• Compound Name: [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
• PubChem CID: 158277613
• Molecular Formula: C128H125Cl6N17O13
• Molecular Weight: 2322.23 g/mol
• Exact Mass: 2317.78
• IUPAC Name: [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole
• SMILES: Cc1c(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccnc1N.Cc1cnccc1-c1cc(Cl)cc2c1OC(C(=O)N1CCCCC1)C2.Clc1cc2c(c(-c3ccnc4[nH]ccc34)c1)OC(c1onc3c1CCCC3)C2.O=C(C1Cc2cc(Cl)cc(-c3ccnc(NCCO)c3)c2O1)N1CCCCC1.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.[C-]#[N+]c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1
• InChI: InChI=1S/C24H20ClN3O2.C22H18ClN3O2.C21H24ClN3O3.C21H20ClN3O2.C20H22ClN3O2.C20H21ClN2O2/c1-26-17-5-6-19-18(7-8-27-21(19)14-17)20-13-16(25)11-15-12-22(30-23(15)20)24(29)28-9-3-2-4-10-28;23-13-9-12-10-19(21-16-3-1-2-4-18(16)26-28-21)27-20(12)17(11-13)14-5-7-24-22-15(14)6-8-25-22;22-16-10-15-11-18(21(27)25-7-2-1-3-8-25)28-20(15)17(13-16)14-4-5-23-19(12-14)24-6-9-26;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-19(13)17(12-14)15-4-6-23-20-16(15)5-7-24-20;1-12-15(5-6-23-19(12)22)16-11-14(21)9-13-10-17(26-18(13)16)20(25)24-7-3-2-4-8-24;1-13-12-22-6-5-16(13)17-11-15(21)9-14-10-18(25-19(14)17)20(24)23-7-3-2-4-8-23/h5-8,11,13-14,22H,2-4,9-10,12H2;5-9,11,19H,1-4,10H2,(H,24,25);4-5,10,12-13,18,26H,1-3,6-9,11H2,(H,23,24);4-7,10,12,18H,1-3,8-9,11H2,(H,23,24);5-6,9,11,17H,2-4,7-8,10H2,1H3,(H2,22,23);5-6,9,11-12,18H,2-4,7-8,10H2,1H3/t;;;18-;;/m...1../s1
• InChIKey: GJUOBKBZIIRJHL-AXHIIXHBSA-N
• XLogP: 25.80
• TPSA: 354.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.23
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The IUPAC name of [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole (CID 158277613) is [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole.

What is the SMILES notation for [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The canonical SMILES for [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole is Cc1c(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccnc1N.Cc1cnccc1-c1cc(Cl)cc2c1OC(C(=O)N1CCCCC1)C2.Clc1cc2c(c(-c3ccnc4[nH]ccc34)c1)OC(c1onc3c1CCCC3)C2.O=C(C1Cc2cc(Cl)cc(-c3ccnc(NCCO)c3)c2O1)N1CCCCC1.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.[C-]#[N+]c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.

What is the InChIKey of [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

The InChIKey is GJUOBKBZIIRJHL-AXHIIXHBSA-N. The full InChI is InChI=1S/C24H20ClN3O2.C22H18ClN3O2.C21H24ClN3O3.C21H20ClN3O2.C20H22ClN3O2.C20H21ClN2O2/c1-26-17-5-6-19-18(7-8-27-21(19)14-17)20-13-16(25)11-15-12-22(30-23(15)20)24(29)28-9-3-2-4-10-28;23-13-9-12-10-19(21-16-3-1-2-4-18(16)26-28-21)27-20(12)17(11-13)14-5-7-24-22-15(14)6-8-25-22;22-16-10-15-11-18(21(27)25-7-2-1-3-8-25)28-20(15)17(13-16)14-4-5-23-19(12-14)24-6-9-26;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-19(13)17(12-14)15-4-6-23-20-16(15)5-7-24-20;1-12-15(5-6-23-19(12)22)16-11-14(21)9-13-10-17(26-18(13)16)20(25)24-7-3-2-4-8-24;1-13-12-22-6-5-16(13)17-11-15(21)9-14-10-18(25-19(14)17)20(24)23-7-3-2-4-8-23/h5-8,11,13-14,22H,2-4,9-10,12H2;5-9,11,19H,1-4,10H2,(H,24,25);4-5,10,12-13,18,26H,1-3,6-9,11H2,(H,23,24);4-7,10,12,18H,1-3,8-9,11H2,(H,23,24);5-6,9,11,17H,2-4,7-8,10H2,1H3,(H2,22,23);5-6,9,11-12,18H,2-4,7-8,10H2,1H3/t;;;18-;;/m...1../s1.

What are the key properties of [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole?

[7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole has a molecular weight of 2322.23 g/mol, XLogP of 25.80, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2-amino-3-methyl-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethylamino)-4-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(7-isocyanoquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole is sourced from PubChem (CID 158277613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).