2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

C21H24F3N5O — CID 159345660

IUPAC2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCC1CN(Cc2nc3ncccc3n2C)CCC1c1ncc(C(F)(F)F)cc1O[11CH3]
InChIInChI=1S/C21H24F3N5O/c1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3/i3-1
InChIKeyWQOBEIJTGVJWKR-KTXUZGJCSA-N
MW418.45 g/mol
LogP4.02
Rot. Bonds4

About 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 159345660) has the molecular formula C21H24F3N5O and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
PubChem CID159345660
Molecular FormulaC21H24F3N5O
Molecular Weight418.45 g/mol
Exact Mass418.20
IUPAC Name2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCC1CN(Cc2nc3ncccc3n2C)CCC1c1ncc(C(F)(F)F)cc1O[11CH3]
InChIInChI=1S/C21H24F3N5O/c1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3/i3-1
InChIKeyWQOBEIJTGVJWKR-KTXUZGJCSA-N
XLogP4.02
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3R,4R)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51357936
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008792
2-[[4-[3-ethenoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 166706029
[2-[1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite
CID 156817928
2-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-1-methylimidazo[4,5-b]pyridine;[2-methoxy-5-(trifluoromethyl)-3-pyridinyl] thiohypofluorite
CID 156817938
2-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008790
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25008791
2-[[(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylbenzimidazole
CID 69245438
2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010195
2-[4-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-methylimidazo[4,5-b]pyridine
CID 123292486
1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole
CID 124727108

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (CID 159345660) is 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is CC1CN(Cc2nc3ncccc3n2C)CCC1c1ncc(C(F)(F)F)cc1O[11CH3].
What is the InChIKey of 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is WQOBEIJTGVJWKR-KTXUZGJCSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3/i3-1.
What are the key properties of 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 418.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 159345660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).