5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide

C25H20Cl2N8O2S — CID 118106170

IUPAC5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2nc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)s1
InChIInChI=1S/C25H20Cl2N8O2S/c1-33(2)25(37)20-8-7-19(38-20)22-23(27)30-24(29-22)18-6-4-15-9-13(10-21(36)35(15)18)16-11-14(26)3-5-17(16)34-12-28-31-32-34/h3,5,7-12,18H,4,6H2,1-2H3,(H,29,30)/t18-/m0/s1
InChIKeyGLRZTMLOCNOJHX-SFHVURJKSA-N
MW567.46 g/mol
LogP4.49
Rot. Bonds5

About 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide

5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 118106170) has the molecular formula C25H20Cl2N8O2S and a molecular weight of 567.46 g/mol. Its IUPAC name is 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide
PubChem CID118106170
Molecular FormulaC25H20Cl2N8O2S
Molecular Weight567.46 g/mol
Exact Mass566.08
IUPAC Name5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2nc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)s1
InChIInChI=1S/C25H20Cl2N8O2S/c1-33(2)25(37)20-8-7-19(38-20)22-23(27)30-24(29-22)18-6-4-15-9-13(10-21(36)35(15)18)16-11-14(26)3-5-17(16)34-12-28-31-32-34/h3,5,7-12,18H,4,6H2,1-2H3,(H,29,30)/t18-/m0/s1
InChIKeyGLRZTMLOCNOJHX-SFHVURJKSA-N
XLogP4.49
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide (CID 118106170) is 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1ccc(-c2nc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)s1.
What is the InChIKey of 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is GLRZTMLOCNOJHX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H20Cl2N8O2S/c1-33(2)25(37)20-8-7-19(38-20)22-23(27)30-24(29-22)18-6-4-15-9-13(10-21(36)35(15)18)16-11-14(26)3-5-17(16)34-12-28-31-32-34/h3,5,7-12,18H,4,6H2,1-2H3,(H,29,30)/t18-/m0/s1.
What are the key properties of 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide?
5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 567.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-4-yl]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 118106170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).