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

C17H12ClN5O — CID 134202555

IUPAC6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine
SMILESO=NCc1cnc2ccc(-c3cn[nH]c3-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H12ClN5O/c18-13-4-1-11(2-5-13)17-15(9-20-22-17)12-3-6-16-19-7-14(8-21-24)23(16)10-12/h1-7,9-10H,8H2,(H,20,22)
InChIKeyRBXPBPFENSPFDO-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.31
Rot. Bonds4

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

6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine (PubChem CID 134202555) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine
PubChem CID134202555
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine
SMILESO=NCc1cnc2ccc(-c3cn[nH]c3-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H12ClN5O/c18-13-4-1-11(2-5-13)17-15(9-20-22-17)12-3-6-16-19-7-14(8-21-24)23(16)10-12/h1-7,9-10H,8H2,(H,20,22)
InChIKeyRBXPBPFENSPFDO-UHFFFAOYSA-N
XLogP4.31
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine (CID 134202555) is 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine is O=NCc1cnc2ccc(-c3cn[nH]c3-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine?
The InChIKey is RBXPBPFENSPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-13-4-1-11(2-5-13)17-15(9-20-22-17)12-3-6-16-19-7-14(8-21-24)23(16)10-12/h1-7,9-10H,8H2,(H,20,22).
What are the key properties of 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine?
6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine has a molecular weight of 337.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(nitrosomethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134202555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).