6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid

C24H17ClN8O3 — CID 123289990

IUPAC6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)n1
InChIInChI=1S/C24H17ClN8O3/c25-14-4-6-20(32-12-27-30-31-32)16(10-14)13-8-15-5-7-21(33(15)22(34)9-13)23-26-11-19(29-23)17-2-1-3-18(28-17)24(35)36/h1-4,6,8-12,21H,5,7H2,(H,26,29)(H,35,36)
InChIKeyRUVSKLGOCSBNBB-UHFFFAOYSA-N
MW500.91 g/mol
LogP3.16
Rot. Bonds5

About 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid

6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 123289990) has the molecular formula C24H17ClN8O3 and a molecular weight of 500.91 g/mol. Its IUPAC name is 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid
PubChem CID123289990
Molecular FormulaC24H17ClN8O3
Molecular Weight500.91 g/mol
Exact Mass500.11
IUPAC Name6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)n1
InChIInChI=1S/C24H17ClN8O3/c25-14-4-6-20(32-12-27-30-31-32)16(10-14)13-8-15-5-7-21(33(15)22(34)9-13)23-26-11-19(29-23)17-2-1-3-18(28-17)24(35)36/h1-4,6,8-12,21H,5,7H2,(H,26,29)(H,35,36)
InChIKeyRUVSKLGOCSBNBB-UHFFFAOYSA-N
XLogP3.16
TPSA144.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.91
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid (CID 123289990) is 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)n1.
What is the InChIKey of 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is RUVSKLGOCSBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN8O3/c25-14-4-6-20(32-12-27-30-31-32)16(10-14)13-8-15-5-7-21(33(15)22(34)9-13)23-26-11-19(29-23)17-2-1-3-18(28-17)24(35)36/h1-4,6,8-12,21H,5,7H2,(H,26,29)(H,35,36).
What are the key properties of 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 500.91 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[7-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123289990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).