2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C19H17F3N6O2S — CID 130438491

IUPAC2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cnn(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H17F3N6O2S/c1-4-31(29,30)15-5-11(12-8-25-27(2)10-12)7-24-17(15)18-26-13-6-16(19(20,21)22)23-9-14(13)28(18)3/h5-10H,4H2,1-3H3
InChIKeyAYPGRKBVMXYNMW-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.24
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438491) has the molecular formula C19H17F3N6O2S and a molecular weight of 450.45 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438491
Molecular FormulaC19H17F3N6O2S
Molecular Weight450.45 g/mol
Exact Mass450.11
IUPAC Name2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cnn(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H17F3N6O2S/c1-4-31(29,30)15-5-11(12-8-25-27(2)10-12)7-24-17(15)18-26-13-6-16(19(20,21)22)23-9-14(13)28(18)3/h5-10H,4H2,1-3H3
InChIKeyAYPGRKBVMXYNMW-UHFFFAOYSA-N
XLogP3.24
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]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 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438491) is 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2cnn(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is AYPGRKBVMXYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2S/c1-4-31(29,30)15-5-11(12-8-25-27(2)10-12)7-24-17(15)18-26-13-6-16(19(20,21)22)23-9-14(13)28(18)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 450.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).