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

C23H17ClN8O3 — CID 118106625

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

5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide (PubChem CID 118106625) has the molecular formula C23H17ClN8O3 and a molecular weight of 488.90 g/mol. Its IUPAC name is 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide
• PubChem CID: 118106625
• Molecular Formula: C23H17ClN8O3
• Molecular Weight: 488.90 g/mol
• Exact Mass: 488.11
• IUPAC Name: 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide
• SMILES: NC(=O)c1ccc(-c2cnc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)o1
• InChI: InChI=1S/C23H17ClN8O3/c24-13-1-3-17(31-11-27-29-30-31)15(9-13)12-7-14-2-4-18(32(14)21(33)8-12)23-26-10-16(28-23)19-5-6-20(35-19)22(25)34/h1,3,5-11,18H,2,4H2,(H2,25,34)(H,26,28)/t18-/m0/s1
• InChIKey: GVAWPACAUXSHIW-SFHVURJKSA-N
• XLogP: 2.76
• TPSA: 150.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.90
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide?

The IUPAC name of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide (CID 118106625) is 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide?

The canonical SMILES for 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide is NC(=O)c1ccc(-c2cnc([C@@H]3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)o1.

What is the InChIKey of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide?

The InChIKey is GVAWPACAUXSHIW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H17ClN8O3/c24-13-1-3-17(31-11-27-29-30-31)15(9-13)12-7-14-2-4-18(32(14)21(33)8-12)23-26-10-16(28-23)19-5-6-20(35-19)22(25)34/h1,3,5-11,18H,2,4H2,(H2,25,34)(H,26,28)/t18-/m0/s1.

What are the key properties of 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide?

5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide has a molecular weight of 488.90 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 118106625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).