2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine

C21H22ClN5O — CID 67412988

IUPAC2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3C)nc12
InChIInChI=1S/C21H22ClN5O/c1-12-14(11-23-27(12)21(2,3)4)19-24-17-10-16(13-8-6-7-9-15(13)22)25-20(28-5)18(17)26-19/h6-11H,1-5H3,(H,24,26)
InChIKeyXNZYBFIRTIRTBC-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.21
Rot. Bonds3

About 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine

2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine (PubChem CID 67412988) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
PubChem CID67412988
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine
SMILESCOc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3C)nc12
InChIInChI=1S/C21H22ClN5O/c1-12-14(11-23-27(12)21(2,3)4)19-24-17-10-16(13-8-6-7-9-15(13)22)25-20(28-5)18(17)26-19/h6-11H,1-5H3,(H,24,26)
InChIKeyXNZYBFIRTIRTBC-UHFFFAOYSA-N
XLogP5.21
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine (CID 67412988) is 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine is COc1nc(-c2ccccc2Cl)cc2[nH]c(-c3cnn(C(C)(C)C)c3C)nc12.
What is the InChIKey of 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
The InChIKey is XNZYBFIRTIRTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-12-14(11-23-27(12)21(2,3)4)19-24-17-10-16(13-8-6-7-9-15(13)22)25-20(28-5)18(17)26-19/h6-11H,1-5H3,(H,24,26).
What are the key properties of 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine?
2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine has a molecular weight of 395.89 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-methylpyrazol-4-yl)-6-(2-chlorophenyl)-4-methoxy-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67412988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).