2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine

C20H20FN5 — CID 136619951

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)cc1-c1nc2cc(-c3ccccc3F)ncc2[nH]1
InChIInChI=1S/C20H20FN5/c1-20(2,3)18-10-17(26(4)25-18)19-23-15-9-14(22-11-16(15)24-19)12-7-5-6-8-13(12)21/h5-11H,1-4H3,(H,23,24)
InChIKeyWTRIVSSKKBNMSN-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.46
Rot. Bonds2

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 136619951) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID136619951
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)cc1-c1nc2cc(-c3ccccc3F)ncc2[nH]1
InChIInChI=1S/C20H20FN5/c1-20(2,3)18-10-17(26(4)25-18)19-23-15-9-14(22-11-16(15)24-19)12-7-5-6-8-13(12)21/h5-11H,1-4H3,(H,23,24)
InChIKeyWTRIVSSKKBNMSN-UHFFFAOYSA-N
XLogP4.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine (CID 136619951) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine is Cn1nc(C(C)(C)C)cc1-c1nc2cc(-c3ccccc3F)ncc2[nH]1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is WTRIVSSKKBNMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-20(2,3)18-10-17(26(4)25-18)19-23-15-9-14(22-11-16(15)24-19)12-7-5-6-8-13(12)21/h5-11H,1-4H3,(H,23,24).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 349.41 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-6-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136619951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).