3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C19H16F6N4O3S — CID 152596947

IUPAC3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ncc(C(F)(F)F)cc2S(=O)(=O)CC2CCOC2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H16F6N4O3S/c1-29-16-13(4-11(7-27-16)18(20,21)22)28-17(29)15-14(5-12(6-26-15)19(23,24)25)33(30,31)9-10-2-3-32-8-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyYWRPJSQNGNXNHO-UHFFFAOYSA-N
MW494.42 g/mol
LogP3.88
Rot. Bonds4

About 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 152596947) has the molecular formula C19H16F6N4O3S and a molecular weight of 494.42 g/mol. Its IUPAC name is 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID152596947
Molecular FormulaC19H16F6N4O3S
Molecular Weight494.42 g/mol
Exact Mass494.08
IUPAC Name3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(-c2ncc(C(F)(F)F)cc2S(=O)(=O)CC2CCOC2)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C19H16F6N4O3S/c1-29-16-13(4-11(7-27-16)18(20,21)22)28-17(29)15-14(5-12(6-26-15)19(23,24)25)33(30,31)9-10-2-3-32-8-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyYWRPJSQNGNXNHO-UHFFFAOYSA-N
XLogP3.88
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 146541035
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459
5-chloro-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 118581452
3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 90324102
N-[(E)-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]methylideneamino]ethanamine
CID 172922026
2-[1,2-bis(ethenyl)-5-ethylsulfonylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 168917633
2-[3-ethylsulfonyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134521194
2-(5-chloro-3-ethylsulfonyl-2-pyridinyl)-6-(1,1-difluoroethyl)-3-methylimidazo[4,5-b]pyridine
CID 118581455
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
methyl 1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 122462272
3-[ethyl-[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)-3-pyridinyl]-oxo-λ6-sulfanylidene]-1,1-dimethylurea
CID 118086396

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 152596947) is 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine is Cn1c(-c2ncc(C(F)(F)F)cc2S(=O)(=O)CC2CCOC2)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YWRPJSQNGNXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O3S/c1-29-16-13(4-11(7-27-16)18(20,21)22)28-17(29)15-14(5-12(6-26-15)19(23,24)25)33(30,31)9-10-2-3-32-8-10/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 494.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(oxolan-3-ylmethylsulfonyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 152596947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).