6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine

C21H12FN5S — CID 23537387

IUPAC6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C21H12FN5S/c1-23-20-9-7-18(28-20)17-11-24-19-8-4-14(12-27(17)19)16-10-25-26-21(16)13-2-5-15(22)6-3-13/h2-12H,(H,25,26)
InChIKeyBQENZFVJNCZGQK-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.81
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine

6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 23537387) has the molecular formula C21H12FN5S and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID23537387
Molecular FormulaC21H12FN5S
Molecular Weight385.43 g/mol
Exact Mass385.08
IUPAC Name6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C21H12FN5S/c1-23-20-9-7-18(28-20)17-11-24-19-8-4-14(12-27(17)19)16-10-25-26-21(16)13-2-5-15(22)6-3-13/h2-12H,(H,25,26)
InChIKeyBQENZFVJNCZGQK-UHFFFAOYSA-N
XLogP5.81
TPSA50.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine (CID 23537387) is 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine is [C-]#[N+]c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is BQENZFVJNCZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN5S/c1-23-20-9-7-18(28-20)17-11-24-19-8-4-14(12-27(17)19)16-10-25-26-21(16)13-2-5-15(22)6-3-13/h2-12H,(H,25,26).
What are the key properties of 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine?
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 385.43 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-isocyanothiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 23537387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).