6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

C20H14ClN5 — CID 153434205

IUPAC6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CC3)cn12
InChIInChI=1S/C20H14ClN5/c1-22-17-10-23-16-9-6-14(11-26(16)17)18-19(12-2-3-12)24-25-20(18)13-4-7-15(21)8-5-13/h4-12H,2-3H2,(H,24,25)
InChIKeyAUNWNEYVPHELOW-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.47
Rot. Bonds3

About 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 153434205) has the molecular formula C20H14ClN5 and a molecular weight of 359.82 g/mol. Its IUPAC name is 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID153434205
Molecular FormulaC20H14ClN5
Molecular Weight359.82 g/mol
Exact Mass359.09
IUPAC Name6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CC3)cn12
InChIInChI=1S/C20H14ClN5/c1-22-17-10-23-16-9-6-14(11-26(16)17)18-19(12-2-3-12)24-25-20(18)13-4-7-15(21)8-5-13/h4-12H,2-3H2,(H,24,25)
InChIKeyAUNWNEYVPHELOW-UHFFFAOYSA-N
XLogP5.47
TPSA50.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 153434205) is 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(Cl)cc4)n[nH]c3C3CC3)cn12.
What is the InChIKey of 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is AUNWNEYVPHELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5/c1-22-17-10-23-16-9-6-14(11-26(16)17)18-19(12-2-3-12)24-25-20(18)13-4-7-15(21)8-5-13/h4-12H,2-3H2,(H,24,25).
What are the key properties of 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?
6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 359.82 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 153434205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).