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

C21H24F3N5O — CID 156817911

IUPAC2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C
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
InChIKeyWQOBEIJTGVJWKR-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.02
Rot. Bonds4

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

2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 156817911) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
PubChem CID156817911
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C
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
InChIKeyWQOBEIJTGVJWKR-UHFFFAOYSA-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 ≤ 500419.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (CID 156817911) is 2-[[4-[3-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-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C.
What is the InChIKey of 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is WQOBEIJTGVJWKR-UHFFFAOYSA-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.
What are the key properties of 2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 419.45 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-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 156817911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).