5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

C123H130N28O20 — CID 157332844

IUPAC5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1
InChIInChI=1S/C28H32N6O5.C27H29N5O5.C25H27N5O5.C22H22N6O3.C21H20N6O2/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-17-21(1-2-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-35-22-11-17-14-32(26(34)18(17)12-23(22)36-2)24-4-3-21(37-24)25(33)30-19-13-28-8-5-20(19)31-9-6-27(7-10-31)15-29-16-27;1-33-21-12-16-15-30(25(32)17(16)13-22(21)34-2)23-5-4-20(35-23)24(31)28-18-14-27-8-6-19(18)29-10-3-7-26-9-11-29;1-26-17-4-2-3-5-18(17)28(22(26)30)20-7-6-19(31-20)21(29)25-15-14-24-9-8-16(15)27-12-10-23-11-13-27;28-21(26-16-13-23-8-7-17(16)27-11-9-22-10-12-27)19-6-5-18(29-19)20-24-14-3-1-2-4-15(14)25-20/h1-6,17-18,29H,7-16,19H2,(H,31,35);3-5,8,11-13,29H,6-7,9-10,14-16H2,1-2H3,(H,30,33);4-6,8,12-14,26H,3,7,9-11,15H2,1-2H3,(H,28,31);2-9,14,23H,10-13H2,1H3,(H,25,29);1-8,13,22H,9-12H2,(H,24,25)(H,26,28)
InChIKeyBFMJMZXISKSMRK-UHFFFAOYSA-N
MW2320.57 g/mol
LogP13.27
Rot. Bonds28

About 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide

5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (PubChem CID 157332844) has the molecular formula C123H130N28O20 and a molecular weight of 2320.57 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
PubChem CID157332844
Molecular FormulaC123H130N28O20
Molecular Weight2320.57 g/mol
Exact Mass2319.00
IUPAC Name5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1
InChIInChI=1S/C28H32N6O5.C27H29N5O5.C25H27N5O5.C22H22N6O3.C21H20N6O2/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-17-21(1-2-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-35-22-11-17-14-32(26(34)18(17)12-23(22)36-2)24-4-3-21(37-24)25(33)30-19-13-28-8-5-20(19)31-9-6-27(7-10-31)15-29-16-27;1-33-21-12-16-15-30(25(32)17(16)13-22(21)34-2)23-5-4-20(35-23)24(31)28-18-14-27-8-6-19(18)29-10-3-7-26-9-11-29;1-26-17-4-2-3-5-18(17)28(22(26)30)20-7-6-19(31-20)21(29)25-15-14-24-9-8-16(15)27-12-10-23-11-13-27;28-21(26-16-13-23-8-7-17(16)27-11-9-22-10-12-27)19-6-5-18(29-19)20-24-14-3-1-2-4-15(14)25-20/h1-6,17-18,29H,7-16,19H2,(H,31,35);3-5,8,11-13,29H,6-7,9-10,14-16H2,1-2H3,(H,30,33);4-6,8,12-14,26H,3,7,9-11,15H2,1-2H3,(H,28,31);2-9,14,23H,10-13H2,1H3,(H,25,29);1-8,13,22H,9-12H2,(H,24,25)(H,26,28)
InChIKeyBFMJMZXISKSMRK-UHFFFAOYSA-N
XLogP13.27
TPSA527.16 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002320.57
LogP ≤ 513.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide (CID 157332844) is 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1ccc(C(=O)Nc3cnccc3N3CCCNCC3)o1)C2.Cn1c(=O)n(-c2ccc(C(=O)Nc3cnccc3N3CCNCC3)o2)c2ccccc21.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2nc3ccccc3[nH]2)o1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)o1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
The InChIKey is BFMJMZXISKSMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5.C27H29N5O5.C25H27N5O5.C22H22N6O3.C21H20N6O2/c35-27(31-23-18-30-6-5-24(23)33-9-7-29-8-10-33)25-3-4-26(39-25)34-19-20-17-21(1-2-22(20)28(34)36)38-16-13-32-11-14-37-15-12-32;1-35-22-11-17-14-32(26(34)18(17)12-23(22)36-2)24-4-3-21(37-24)25(33)30-19-13-28-8-5-20(19)31-9-6-27(7-10-31)15-29-16-27;1-33-21-12-16-15-30(25(32)17(16)13-22(21)34-2)23-5-4-20(35-23)24(31)28-18-14-27-8-6-19(18)29-10-3-7-26-9-11-29;1-26-17-4-2-3-5-18(17)28(22(26)30)20-7-6-19(31-20)21(29)25-15-14-24-9-8-16(15)27-12-10-23-11-13-27;28-21(26-16-13-23-8-7-17(16)27-11-9-22-10-12-27)19-6-5-18(29-19)20-24-14-3-1-2-4-15(14)25-20/h1-6,17-18,29H,7-16,19H2,(H,31,35);3-5,8,11-13,29H,6-7,9-10,14-16H2,1-2H3,(H,30,33);4-6,8,12-14,26H,3,7,9-11,15H2,1-2H3,(H,28,31);2-9,14,23H,10-13H2,1H3,(H,25,29);1-8,13,22H,9-12H2,(H,24,25)(H,26,28).
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide?
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide has a molecular weight of 2320.57 g/mol, XLogP of 13.27, 28 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)furan-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 157332844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).