3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C23H21F3N6O — CID 70848003

IUPAC3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccc(N4CCCCC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H21F3N6O/c1-33-20-8-6-17(14-28-20)32-21-19(11-15(12-29-21)23(24,25)26)30-22(32)18-7-5-16(13-27-18)31-9-3-2-4-10-31/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyVYSGBBDEDXTJQW-UHFFFAOYSA-N
MW454.46 g/mol
LogP4.90
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 70848003) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID70848003
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccc(N4CCCCC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H21F3N6O/c1-33-20-8-6-17(14-28-20)32-21-19(11-15(12-29-21)23(24,25)26)30-22(32)18-7-5-16(13-27-18)31-9-3-2-4-10-31/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyVYSGBBDEDXTJQW-UHFFFAOYSA-N
XLogP4.90
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-(6-methoxy-3-pyridinyl)-2-(1-methyltriazol-4-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 53251127
2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 89027626
3-(5-methoxy-2-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121332377
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316830
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43755835
2-(6-methoxy-3-pyridinyl)-10-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 122642333
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
1-(6-cyclopentyloxy-3-pyridinyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
CID 86616823
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
5-[3-[3-(2-chloro-4-fluorophenyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 142391757

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 70848003) is 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(-c3ccc(N4CCCCC4)cn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is VYSGBBDEDXTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-33-20-8-6-17(14-28-20)32-21-19(11-15(12-29-21)23(24,25)26)30-22(32)18-7-5-16(13-27-18)31-9-3-2-4-10-31/h5-8,11-14H,2-4,9-10H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 454.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-(5-piperidin-1-yl-2-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 70848003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).