4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide

C33H48N8O3 — CID 58353186

IUPAC4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide
SMILESCOc1cc(C2=NC3(CCC(C(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCC4NNNN4)cc3)C2=O)ccn1
InChIInChI=1S/C33H48N8O3/c1-21(2)22-11-16-33(17-12-22)36-29(25-14-18-34-28(19-25)44-6)31(43)41(33)26(13-15-32(3,4)5)23-7-9-24(10-8-23)30(42)35-20-27-37-39-40-38-27/h7-10,14,18-19,21-22,26-27,37-40H,11-13,15-17,20H2,1-6H3,(H,35,42)/t22?,26-,33?/m1/s1
InChIKeyFGSHGLSJPXXEPK-UTKRKVBMSA-N
MW604.80 g/mol
LogP4.00
Rot. Bonds10

About 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide

4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide (PubChem CID 58353186) has the molecular formula C33H48N8O3 and a molecular weight of 604.80 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide
PubChem CID58353186
Molecular FormulaC33H48N8O3
Molecular Weight604.80 g/mol
Exact Mass604.38
IUPAC Name4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide
SMILESCOc1cc(C2=NC3(CCC(C(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCC4NNNN4)cc3)C2=O)ccn1
InChIInChI=1S/C33H48N8O3/c1-21(2)22-11-16-33(17-12-22)36-29(25-14-18-34-28(19-25)44-6)31(43)41(33)26(13-15-32(3,4)5)23-7-9-24(10-8-23)30(42)35-20-27-37-39-40-38-27/h7-10,14,18-19,21-22,26-27,37-40H,11-13,15-17,20H2,1-6H3,(H,35,42)/t22?,26-,33?/m1/s1
InChIKeyFGSHGLSJPXXEPK-UTKRKVBMSA-N
XLogP4.00
TPSA132.01 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.80
LogP ≤ 54.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[(1R)-1-[2-(3-chloro-4-fluorophenyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoyl]amino]propanoic acid
CID 53468464
N-[2-amino-2-(aminohydrazinylidene)ethyl]-4-[(1R)-1-[2-[3-(cyclopropylmethoxy)phenyl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
CID 123349349
N-(2-amino-2-iminoethyl)-4-[1-[2-(3,5-dichlorophenyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide;methanamine
CID 143971035
4-[1-[8-ethyl-2-(3-fluoro-5-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-[(2-methyltetrazolidin-5-yl)methyl]benzamide
CID 123428521
3-[[4-[(1R)-1-[8-tert-butyl-3-oxo-2-(3-propan-2-yloxyphenyl)-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoyl]amino]propanoic acid
CID 58353251
4-[(1R)-4,4-dimethyl-1-[3-oxo-8-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353599
4-[(1R)-1-[8-tert-butyl-2-(3-ethoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
CID 143971022
N-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]-4-[(1R)-1-[2-[3-(3,3-dimethylbutoxy)cyclohexa-1,3-dien-1-yl]-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
CID 143970613
4-[(1R)-4,4-dimethyl-1-[8-(1-methylcyclopropyl)-2-[3-(4-methylpentoxy)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]pentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469055
propan-2-yl 4-[(1R)-1-[8-tert-butyl-2-(3-hydroxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoate
CID 71202671
4-[(1S)-1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469446
propan-2-yl 4-[(1R)-1-[8-tert-butyl-2-[3-(4-methylpentoxy)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoate
CID 71202673

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide?
The IUPAC name of 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide (CID 58353186) is 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide is COc1cc(C2=NC3(CCC(C(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCC4NNNN4)cc3)C2=O)ccn1.
What is the InChIKey of 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide?
The InChIKey is FGSHGLSJPXXEPK-UTKRKVBMSA-N. The full InChI is InChI=1S/C33H48N8O3/c1-21(2)22-11-16-33(17-12-22)36-29(25-14-18-34-28(19-25)44-6)31(43)41(33)26(13-15-32(3,4)5)23-7-9-24(10-8-23)30(42)35-20-27-37-39-40-38-27/h7-10,14,18-19,21-22,26-27,37-40H,11-13,15-17,20H2,1-6H3,(H,35,42)/t22?,26-,33?/m1/s1.
What are the key properties of 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide?
4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide has a molecular weight of 604.80 g/mol, XLogP of 4.00, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[2-(2-methoxy-4-pyridinyl)-3-oxo-8-propan-2-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide is sourced from PubChem (CID 58353186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).