N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

C119H152N18O14 — CID 157310056

IUPACN-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccccc1CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CC(C)N1CCC(CC(=O)N2CCC(CCNC(=O)c3cc4ccncc4o3)CC2)CC1.CC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CCC1.CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1
InChIInChI=1S/C26H25N3O3.C25H36N4O3.C24H32N4O3.C24H31N3O2.C20H28N4O3/c1-2-18-5-3-4-6-19(18)14-24(30)29-11-8-26(9-12-29)15-21(26)16-28-25(31)22-13-20-7-10-27-17-23(20)32-22;1-18(2)28-11-7-20(8-12-28)15-24(30)29-13-5-19(6-14-29)3-10-27-25(31)22-16-21-4-9-26-17-23(21)32-22;1-27-8-3-17(4-9-27)12-22(29)28-10-5-24(6-11-28)14-19(24)15-26-23(30)20-13-18-2-7-25-16-21(18)31-20;1-23(4-2-5-23)14-21(28)27-9-6-24(7-10-27)13-20(24)16-26-22(29)18-11-17-3-8-25-15-19(17)12-18;1-14(2)27-19(26)23-7-4-20(5-8-23)9-17(20)11-22-18(25)24-12-15-3-6-21-10-16(15)13-24/h1,3-7,10,13,17,21H,8-9,11-12,14-16H2,(H,28,31);4,9,16-20H,3,5-8,10-15H2,1-2H3,(H,27,31);2,7,13,16-17,19H,3-6,8-12,14-15H2,1H3,(H,26,30);3,8,12,15,20H,2,4-7,9-11,13-14,16H2,1H3,(H,26,29);3,6,10,14,17H,4-5,7-9,11-13H2,1-2H3,(H,22,25)
InChIKeyBCXXFFMBKGPAHI-UHFFFAOYSA-N
MW2058.64 g/mol
LogP16.13
Rot. Bonds25

About N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 157310056) has the molecular formula C119H152N18O14 and a molecular weight of 2058.64 g/mol. Its IUPAC name is N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID157310056
Molecular FormulaC119H152N18O14
Molecular Weight2058.64 g/mol
Exact Mass2057.17
IUPAC NameN-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide
SMILESC#Cc1ccccc1CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CC(C)N1CCC(CC(=O)N2CCC(CCNC(=O)c3cc4ccncc4o3)CC2)CC1.CC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CCC1.CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1
InChIInChI=1S/C26H25N3O3.C25H36N4O3.C24H32N4O3.C24H31N3O2.C20H28N4O3/c1-2-18-5-3-4-6-19(18)14-24(30)29-11-8-26(9-12-29)15-21(26)16-28-25(31)22-13-20-7-10-27-17-23(20)32-22;1-18(2)28-11-7-20(8-12-28)15-24(30)29-13-5-19(6-14-29)3-10-27-25(31)22-16-21-4-9-26-17-23(21)32-22;1-27-8-3-17(4-9-27)12-22(29)28-10-5-24(6-11-28)14-19(24)15-26-23(30)20-13-18-2-7-25-16-21(18)31-20;1-23(4-2-5-23)14-21(28)27-9-6-24(7-10-27)13-20(24)16-26-22(29)18-11-17-3-8-25-15-19(17)12-18;1-14(2)27-19(26)23-7-4-20(5-8-23)9-17(20)11-22-18(25)24-12-15-3-6-21-10-16(15)13-24/h1,3-7,10,13,17,21H,8-9,11-12,14-16H2,(H,28,31);4,9,16-20H,3,5-8,10-15H2,1-2H3,(H,27,31);2,7,13,16-17,19H,3-6,8-12,14-15H2,1H3,(H,26,30);3,8,12,15,20H,2,4-7,9-11,13-14,16H2,1H3,(H,26,29);3,6,10,14,17H,4-5,7-9,11-13H2,1-2H3,(H,22,25)
InChIKeyBCXXFFMBKGPAHI-UHFFFAOYSA-N
XLogP16.13
TPSA369.87 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002058.64
LogP ≤ 516.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide (CID 157310056) is N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is C#Cc1ccccc1CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CC(C)N1CCC(CC(=O)N2CCC(CCNC(=O)c3cc4ccncc4o3)CC2)CC1.CC(C)OC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1(CC(=O)N2CCC3(CC2)CC3CNC(=O)C2=Cc3cnccc3C2)CCC1.CN1CCC(CC(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)CC1.
What is the InChIKey of N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BCXXFFMBKGPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C25H36N4O3.C24H32N4O3.C24H31N3O2.C20H28N4O3/c1-2-18-5-3-4-6-19(18)14-24(30)29-11-8-26(9-12-29)15-21(26)16-28-25(31)22-13-20-7-10-27-17-23(20)32-22;1-18(2)28-11-7-20(8-12-28)15-24(30)29-13-5-19(6-14-29)3-10-27-25(31)22-16-21-4-9-26-17-23(21)32-22;1-27-8-3-17(4-9-27)12-22(29)28-10-5-24(6-11-28)14-19(24)15-26-23(30)20-13-18-2-7-25-16-21(18)31-20;1-23(4-2-5-23)14-21(28)27-9-6-24(7-10-27)13-20(24)16-26-22(29)18-11-17-3-8-25-15-19(17)12-18;1-14(2)27-19(26)23-7-4-20(5-8-23)9-17(20)11-22-18(25)24-12-15-3-6-21-10-16(15)13-24/h1,3-7,10,13,17,21H,8-9,11-12,14-16H2,(H,28,31);4,9,16-20H,3,5-8,10-15H2,1-2H3,(H,27,31);2,7,13,16-17,19H,3-6,8-12,14-15H2,1H3,(H,26,30);3,8,12,15,20H,2,4-7,9-11,13-14,16H2,1H3,(H,26,29);3,6,10,14,17H,4-5,7-9,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2058.64 g/mol, XLogP of 16.13, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(2-ethynylphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[2-(1-methylcyclobutyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide;N-[[6-[2-(1-methylpiperidin-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate;N-[2-[1-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperidin-4-yl]ethyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 157310056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).