[7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile

C141H127Cl6FN18O15S2 — CID 161391364

About [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile

[7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile (PubChem CID 161391364) has the molecular formula C141H127Cl6FN18O15S2 and a molecular weight of 2609.53 g/mol. Its IUPAC name is [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile
• PubChem CID: 161391364
• Molecular Formula: C141H127Cl6FN18O15S2
• Molecular Weight: 2609.53 g/mol
• Exact Mass: 2604.73
• IUPAC Name: [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile
• SMILES: N#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2o1.N#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.O=C(C1Cc2cc(Cl)c(F)c(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc(Cn4cnc5ccccc5c4=O)c3)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc(Nc4ccccc4)c3)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CCO)sc34)c2O1)N1CCCCC1
• InChI: InChI=1S/C28H25ClN4O3.C25H24ClN3O2.C23H23ClN2O3S.C22H18ClN3O3.C22H18ClN3O2S.C21H19ClFN3O2/c29-20-12-19-14-25(28(35)32-10-4-1-5-11-32)36-26(19)23(15-20)18-8-9-30-21(13-18)16-33-17-31-24-7-3-2-6-22(24)27(33)34;26-19-13-18-14-22(25(30)29-11-5-2-6-12-29)31-24(18)21(16-19)17-9-10-27-23(15-17)28-20-7-3-1-4-8-20;24-15-10-14-11-20(23(28)26-7-2-1-3-8-26)29-21(14)18(12-15)17-4-6-25-19-13-16(5-9-27)30-22(17)19;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)29-20(13)17(10-14)16-4-5-25-18-11-15(12-24)28-21(16)18;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)28-20(13)17(10-14)16-4-5-25-18-11-15(12-24)29-21(16)18;22-15-10-12-11-16(21(27)26-8-2-1-3-9-26)28-19(12)17(18(15)23)13-4-6-24-20-14(13)5-7-25-20/h2-3,6-9,12-13,15,17,25H,1,4-5,10-11,14,16H2;1,3-4,7-10,13,15-16,22H,2,5-6,11-12,14H2,(H,27,28);4,6,10,12-13,20,27H,1-3,5,7-9,11H2;2*4-5,8,10-11,19H,1-3,6-7,9H2;4-7,10,16H,1-3,8-9,11H2,(H,24,25)
• InChIKey: VTAKJQKNFMAEAK-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 398.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.53
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile?

The IUPAC name of [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile (CID 161391364) is [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile.

What is the SMILES notation for [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile?

The canonical SMILES for [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile is N#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2o1.N#Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.O=C(C1Cc2cc(Cl)c(F)c(-c3ccnc4[nH]ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc(Cn4cnc5ccccc5c4=O)c3)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc(Nc4ccccc4)c3)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CCO)sc34)c2O1)N1CCCCC1.

What is the InChIKey of [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile?

The InChIKey is VTAKJQKNFMAEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3.C25H24ClN3O2.C23H23ClN2O3S.C22H18ClN3O3.C22H18ClN3O2S.C21H19ClFN3O2/c29-20-12-19-14-25(28(35)32-10-4-1-5-11-32)36-26(19)23(15-20)18-8-9-30-21(13-18)16-33-17-31-24-7-3-2-6-22(24)27(33)34;26-19-13-18-14-22(25(30)29-11-5-2-6-12-29)31-24(18)21(16-19)17-9-10-27-23(15-17)28-20-7-3-1-4-8-20;24-15-10-14-11-20(23(28)26-7-2-1-3-8-26)29-21(14)18(12-15)17-4-6-25-19-13-16(5-9-27)30-22(17)19;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)29-20(13)17(10-14)16-4-5-25-18-11-15(12-24)28-21(16)18;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)28-20(13)17(10-14)16-4-5-25-18-11-15(12-24)29-21(16)18;22-15-10-12-11-16(21(27)26-8-2-1-3-9-26)28-19(12)17(18(15)23)13-4-6-24-20-14(13)5-7-25-20/h2-3,6-9,12-13,15,17,25H,1,4-5,10-11,14,16H2;1,3-4,7-10,13,15-16,22H,2,5-6,11-12,14H2,(H,27,28);4,6,10,12-13,20,27H,1-3,5,7-9,11H2;2*4-5,8,10-11,19H,1-3,6-7,9H2;4-7,10,16H,1-3,8-9,11H2,(H,24,25).

What are the key properties of [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile?

[7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile has a molecular weight of 2609.53 g/mol, XLogP of 27.88, 18 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-6-fluoro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-b]pyridine-2-carbonitrile;3-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-pyridinyl]methyl]quinazolin-4-one;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carbonitrile is sourced from PubChem (CID 161391364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).