N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C91H107F3N14O15S — CID 162125283

IUPACN-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC=S(=O)(c1ccc(CC(=O)N2CCC3(CC2)CC3C)cc1)C(F)(F)F.CC(=O)N(C)CCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.COCCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.NC(=O)C1Cc2ccncc2O1.O=C(NCC1CC12CCN(C(=O)Cc1ccccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3.C22H28N4O4.C20H25N3O4.C18H22F3NO2S.C8H8N2O2/c28-21(12-18-3-1-2-7-25-18)27-9-5-23(6-10-27)13-17(23)14-26-22(29)19-11-16-4-8-24-15-20(16)30-19;1-15(27)25(2)8-4-20(28)26-9-5-22(6-10-26)12-17(22)13-24-21(29)18-11-16-3-7-23-14-19(16)30-18;1-26-9-3-18(24)23-7-4-20(5-8-23)11-15(20)12-22-19(25)16-10-14-2-6-21-13-17(14)27-16;1-13-12-17(13)7-9-22(10-8-17)16(23)11-14-3-5-15(6-4-14)25(2,24)18(19,20)21;9-8(11)6-3-5-1-2-10-4-7(5)12-6/h1-4,7-8,11,15,17H,5-6,9-10,12-14H2,(H,26,29);3,7,11,14,17H,4-6,8-10,12-13H2,1-2H3,(H,24,29);2,6,10,13,15H,3-5,7-9,11-12H2,1H3,(H,22,25);3-6,13H,2,7-12H2,1H3;1-2,4,6H,3H2,(H2,9,11)
InChIKeyZHYBUCNQLMWZHS-UHFFFAOYSA-N
MW1726.00 g/mol
LogP10.44
Rot. Bonds21

About N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 162125283) has the molecular formula C91H107F3N14O15S and a molecular weight of 1726.00 g/mol. Its IUPAC name is N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID162125283
Molecular FormulaC91H107F3N14O15S
Molecular Weight1726.00 g/mol
Exact Mass1724.77
IUPAC NameN-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC=S(=O)(c1ccc(CC(=O)N2CCC3(CC2)CC3C)cc1)C(F)(F)F.CC(=O)N(C)CCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.COCCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.NC(=O)C1Cc2ccncc2O1.O=C(NCC1CC12CCN(C(=O)Cc1ccccn1)CC2)c1cc2ccncc2o1
InChIInChI=1S/C23H24N4O3.C22H28N4O4.C20H25N3O4.C18H22F3NO2S.C8H8N2O2/c28-21(12-18-3-1-2-7-25-18)27-9-5-23(6-10-27)13-17(23)14-26-22(29)19-11-16-4-8-24-15-20(16)30-19;1-15(27)25(2)8-4-20(28)26-9-5-22(6-10-26)12-17(22)13-24-21(29)18-11-16-3-7-23-14-19(16)30-18;1-26-9-3-18(24)23-7-4-20(5-8-23)11-15(20)12-22-19(25)16-10-14-2-6-21-13-17(14)27-16;1-13-12-17(13)7-9-22(10-8-17)16(23)11-14-3-5-15(6-4-14)25(2,24)18(19,20)21;9-8(11)6-3-5-1-2-10-4-7(5)12-6/h1-4,7-8,11,15,17H,5-6,9-10,12-14H2,(H,26,29);3,7,11,14,17H,4-6,8-10,12-13H2,1-2H3,(H,24,29);2,6,10,13,15H,3-5,7-9,11-12H2,1H3,(H,22,25);3-6,13H,2,7-12H2,1H3;1-2,4,6H,3H2,(H2,9,11)
InChIKeyZHYBUCNQLMWZHS-UHFFFAOYSA-N
XLogP10.44
TPSA371.34 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.00
LogP ≤ 510.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 162125283) is N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is C=S(=O)(c1ccc(CC(=O)N2CCC3(CC2)CC3C)cc1)C(F)(F)F.CC(=O)N(C)CCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.COCCC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.NC(=O)C1Cc2ccncc2O1.O=C(NCC1CC12CCN(C(=O)Cc1ccccn1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZHYBUCNQLMWZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C22H28N4O4.C20H25N3O4.C18H22F3NO2S.C8H8N2O2/c28-21(12-18-3-1-2-7-25-18)27-9-5-23(6-10-27)13-17(23)14-26-22(29)19-11-16-4-8-24-15-20(16)30-19;1-15(27)25(2)8-4-20(28)26-9-5-22(6-10-26)12-17(22)13-24-21(29)18-11-16-3-7-23-14-19(16)30-18;1-26-9-3-18(24)23-7-4-20(5-8-23)11-15(20)12-22-19(25)16-10-14-2-6-21-13-17(14)27-16;1-13-12-17(13)7-9-22(10-8-17)16(23)11-14-3-5-15(6-4-14)25(2,24)18(19,20)21;9-8(11)6-3-5-1-2-10-4-7(5)12-6/h1-4,7-8,11,15,17H,5-6,9-10,12-14H2,(H,26,29);3,7,11,14,17H,4-6,8-10,12-13H2,1-2H3,(H,24,29);2,6,10,13,15H,3-5,7-9,11-12H2,1H3,(H,22,25);3-6,13H,2,7-12H2,1H3;1-2,4,6H,3H2,(H2,9,11).
What are the key properties of N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 1726.00 g/mol, XLogP of 10.44, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-[acetyl(methyl)amino]propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;2,3-dihydrofuro[2,3-c]pyridine-2-carboxamide;N-[[6-(3-methoxypropanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;1-(2-methyl-6-azaspiro[2.5]octan-6-yl)-2-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]ethanone;N-[[6-(2-pyridin-2-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 162125283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).