N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide

C23H26N4O3 — CID 130290034

IUPACN-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H26N4O3/c1-15-18(14-26(2)25-15)22(29)27-9-7-23(8-10-27)12-17(23)13-24-21(28)20-11-16-5-3-4-6-19(16)30-20/h3-6,11,14,17H,7-10,12-13H2,1-2H3,(H,24,28)
InChIKeyBAQFKWXRCOXPTA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.15
Rot. Bonds4

About N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 130290034) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID130290034
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H26N4O3/c1-15-18(14-26(2)25-15)22(29)27-9-7-23(8-10-27)12-17(23)13-24-21(28)20-11-16-5-3-4-6-19(16)30-20/h3-6,11,14,17H,7-10,12-13H2,1-2H3,(H,24,28)
InChIKeyBAQFKWXRCOXPTA-UHFFFAOYSA-N
XLogP3.15
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012576
N-[[6-(3-methyl-1,2-oxazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011744
N-[[6-(3-acetamidopyridine-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012527
N-[(6-benzoyl-6-azaspiro[2.5]octan-2-yl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90011955
6-(1-benzofuran-2-carbonyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45241253
N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715697
N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715865
N-[[6-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012653
N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715581
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118621393
N-[[6-(6-methyl-1H-benzimidazole-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013037
N-[[6-[2-(tert-butylamino)-2-oxoacetyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715524

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 130290034) is N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide is Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is BAQFKWXRCOXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-18(14-26(2)25-15)22(29)27-9-7-23(8-10-27)12-17(23)13-24-21(28)20-11-16-5-3-4-6-19(16)30-20/h3-6,11,14,17H,7-10,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 130290034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).