(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C107H97Cl5N12O13S — CID 159302586

IUPAC(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESClc1cc2c(c(-c3ccnc4[nH]ccc34)c1)OC(c1onc3c1CNCC3)C2.O=C(C1CCCCC1)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)oc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccoc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccsc34)c2O1)N1CCCCC1
InChIInChI=1S/C22H21ClN2O4.C22H21ClN2O2.C21H17ClN4O2.C21H19ClN2O3.C21H19ClN2O2S/c23-14-8-13-9-19(22(27)25-6-2-1-3-7-25)29-20(13)17(10-14)16-4-5-24-18-11-15(12-26)28-21(16)18;23-15-10-14-11-19(20(26)13-4-2-1-3-5-13)27-21(14)18(12-15)16-6-8-24-22-17(16)7-9-25-22;22-12-7-11-8-18(20-16-10-23-4-3-17(16)26-28-20)27-19(11)15(9-12)13-1-5-24-21-14(13)2-6-25-21;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)27-19(13)16(12-14)15-4-6-23-17-5-9-26-20(15)17;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)26-19(13)16(12-14)15-4-6-23-17-5-9-27-20(15)17/h4-5,8,10-11,19,26H,1-3,6-7,9,12H2;6-10,12-13,19H,1-5,11H2,(H,24,25);1-2,5-7,9,18,23H,3-4,8,10H2,(H,24,25);2*4-6,9-10,12,18H,1-3,7-8,11H2
InChIKeyLBNFYJANIGMECS-UHFFFAOYSA-N
MW1968.36 g/mol
LogP22.88
Rot. Bonds12

About (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone

(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 159302586) has the molecular formula C107H97Cl5N12O13S and a molecular weight of 1968.36 g/mol. Its IUPAC name is (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID159302586
Molecular FormulaC107H97Cl5N12O13S
Molecular Weight1968.36 g/mol
Exact Mass1964.55
IUPAC Name(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESClc1cc2c(c(-c3ccnc4[nH]ccc34)c1)OC(c1onc3c1CNCC3)C2.O=C(C1CCCCC1)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)oc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccoc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccsc34)c2O1)N1CCCCC1
InChIInChI=1S/C22H21ClN2O4.C22H21ClN2O2.C21H17ClN4O2.C21H19ClN2O3.C21H19ClN2O2S/c23-14-8-13-9-19(22(27)25-6-2-1-3-7-25)29-20(13)17(10-14)16-4-5-24-18-11-15(12-26)28-21(16)18;23-15-10-14-11-19(20(26)13-4-2-1-3-5-13)27-21(14)18(12-15)16-6-8-24-22-17(16)7-9-25-22;22-12-7-11-8-18(20-16-10-23-4-3-17(16)26-28-20)27-19(11)15(9-12)13-1-5-24-21-14(13)2-6-25-21;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)27-19(13)16(12-14)15-4-6-23-17-5-9-26-20(15)17;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)26-19(13)16(12-14)15-4-6-23-17-5-9-27-20(15)17/h4-5,8,10-11,19,26H,1-3,6-7,9,12H2;6-10,12-13,19H,1-5,11H2,(H,24,25);1-2,5-7,9,18,23H,3-4,8,10H2,(H,24,25);2*4-6,9-10,12,18H,1-3,7-8,11H2
InChIKeyLBNFYJANIGMECS-UHFFFAOYSA-N
XLogP22.88
TPSA304.75 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.36
LogP ≤ 522.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 159302586) is (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is Clc1cc2c(c(-c3ccnc4[nH]ccc34)c1)OC(c1onc3c1CNCC3)C2.O=C(C1CCCCC1)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)oc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccoc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccsc34)c2O1)N1CCCCC1.
What is the InChIKey of (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is LBNFYJANIGMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4.C22H21ClN2O2.C21H17ClN4O2.C21H19ClN2O3.C21H19ClN2O2S/c23-14-8-13-9-19(22(27)25-6-2-1-3-7-25)29-20(13)17(10-14)16-4-5-24-18-11-15(12-26)28-21(16)18;23-15-10-14-11-19(20(26)13-4-2-1-3-5-13)27-21(14)18(12-15)16-6-8-24-22-17(16)7-9-25-22;22-12-7-11-8-18(20-16-10-23-4-3-17(16)26-28-20)27-19(11)15(9-12)13-1-5-24-21-14(13)2-6-25-21;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)27-19(13)16(12-14)15-4-6-23-17-5-9-26-20(15)17;22-14-10-13-11-18(21(25)24-7-2-1-3-8-24)26-19(13)16(12-14)15-4-6-23-17-5-9-27-20(15)17/h4-5,8,10-11,19,26H,1-3,6-7,9,12H2;6-10,12-13,19H,1-5,11H2,(H,24,25);1-2,5-7,9,18,23H,3-4,8,10H2,(H,24,25);2*4-6,9-10,12,18H,1-3,7-8,11H2.
What are the key properties of (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 1968.36 g/mol, XLogP of 22.88, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-furo[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone;[5-chloro-7-[2-(hydroxymethyl)furo[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-cyclohexylmethanone;3-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 159302586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).