N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide

C122H134N22O15 — CID 158285286

IUPACN-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.CC(C)C1=CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)=NC1.CC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.O=C(CCC1CC12CCN(C(=O)c1cnn3cccnc13)CC2)c1cc2ccncc2o1.O=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1
InChIInChI=1S/2C25H30N4O3.C25H29N3O3.C24H23N5O3.C23H22N6O3/c1-24(2,3)21-13-18(27-28-21)23(31)29-10-8-25(9-11-29)14-17(25)15-26-22(30)20-12-16-6-4-5-7-19(16)32-20;1-16(2)11-19-13-20(28-27-19)24(31)29-9-7-25(8-10-29)14-18(25)15-26-23(30)22-12-17-5-3-4-6-21(17)32-22;1-16(2)18-11-20(26-14-18)24(30)28-9-7-25(8-10-28)13-19(25)15-27-23(29)22-12-17-5-3-4-6-21(17)31-22;30-19(20-12-16-4-8-25-15-21(16)32-20)3-2-17-13-24(17)5-10-28(11-6-24)23(31)18-14-27-29-9-1-7-26-22(18)29;30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,26,30)(H,27,28);3-6,12-13,16,18H,7-11,14-15H2,1-2H3,(H,26,30)(H,27,28);3-6,11-12,16,19H,7-10,13-15H2,1-2H3,(H,27,29);1,4,7-9,12,14-15,17H,2-3,5-6,10-11,13H2;1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30)
InChIKeyGKRYVYQLHFQMPE-UHFFFAOYSA-N
MW2148.55 g/mol
LogP18.30
Rot. Bonds24

About N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 158285286) has the molecular formula C122H134N22O15 and a molecular weight of 2148.55 g/mol. Its IUPAC name is N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID158285286
Molecular FormulaC122H134N22O15
Molecular Weight2148.55 g/mol
Exact Mass2147.04
IUPAC NameN-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.CC(C)C1=CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)=NC1.CC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.O=C(CCC1CC12CCN(C(=O)c1cnn3cccnc13)CC2)c1cc2ccncc2o1.O=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1
InChIInChI=1S/2C25H30N4O3.C25H29N3O3.C24H23N5O3.C23H22N6O3/c1-24(2,3)21-13-18(27-28-21)23(31)29-10-8-25(9-11-29)14-17(25)15-26-22(30)20-12-16-6-4-5-7-19(16)32-20;1-16(2)11-19-13-20(28-27-19)24(31)29-9-7-25(8-10-29)14-18(25)15-26-23(30)22-12-17-5-3-4-6-21(17)32-22;1-16(2)18-11-20(26-14-18)24(30)28-9-7-25(8-10-28)13-19(25)15-27-23(29)22-12-17-5-3-4-6-21(17)31-22;30-19(20-12-16-4-8-25-15-21(16)32-20)3-2-17-13-24(17)5-10-28(11-6-24)23(31)18-14-27-29-9-1-7-26-22(18)29;30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,26,30)(H,27,28);3-6,12-13,16,18H,7-11,14-15H2,1-2H3,(H,26,30)(H,27,28);3-6,11-12,16,19H,7-10,13-15H2,1-2H3,(H,27,29);1,4,7-9,12,14-15,17H,2-3,5-6,10-11,13H2;1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30)
InChIKeyGKRYVYQLHFQMPE-UHFFFAOYSA-N
XLogP18.30
TPSA456.60 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002148.55
LogP ≤ 518.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 158285286) is N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide is CC(C)(C)c1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.CC(C)C1=CC(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)=NC1.CC(C)Cc1cc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccccc3o2)n[nH]1.O=C(CCC1CC12CCN(C(=O)c1cnn3cccnc13)CC2)c1cc2ccncc2o1.O=C(NCC1CC12CCN(C(=O)c1cn3cccnc3n1)CC2)c1cc2ccncc2o1.
What is the InChIKey of N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is GKRYVYQLHFQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30N4O3.C25H29N3O3.C24H23N5O3.C23H22N6O3/c1-24(2,3)21-13-18(27-28-21)23(31)29-10-8-25(9-11-29)14-17(25)15-26-22(30)20-12-16-6-4-5-7-19(16)32-20;1-16(2)11-19-13-20(28-27-19)24(31)29-9-7-25(8-10-29)14-18(25)15-26-23(30)22-12-17-5-3-4-6-21(17)32-22;1-16(2)18-11-20(26-14-18)24(30)28-9-7-25(8-10-28)13-19(25)15-27-23(29)22-12-17-5-3-4-6-21(17)31-22;30-19(20-12-16-4-8-25-15-21(16)32-20)3-2-17-13-24(17)5-10-28(11-6-24)23(31)18-14-27-29-9-1-7-26-22(18)29;30-20(18-10-15-2-6-24-13-19(15)32-18)26-12-16-11-23(16)3-8-28(9-4-23)21(31)17-14-29-7-1-5-25-22(29)27-17/h4-7,12-13,17H,8-11,14-15H2,1-3H3,(H,26,30)(H,27,28);3-6,12-13,16,18H,7-11,14-15H2,1-2H3,(H,26,30)(H,27,28);3-6,11-12,16,19H,7-10,13-15H2,1-2H3,(H,27,29);1,4,7-9,12,14-15,17H,2-3,5-6,10-11,13H2;1-2,5-7,10,13-14,16H,3-4,8-9,11-12H2,(H,26,30).
What are the key properties of N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 2148.55 g/mol, XLogP of 18.30, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-tert-butyl-1H-pyrazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;1-furo[2,3-c]pyridin-2-yl-3-[6-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]propan-1-one;N-[[6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide;N-[[6-(3-propan-2-yl-2H-pyrrole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 158285286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).