1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol

C20H21F3N4O — CID 25009468

IUPAC1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)C(O)C2)nc2ncccc21
InChIInChI=1S/C20H21F3N4O/c1-26-16-3-2-9-24-19(16)25-18(26)12-27-10-8-15(17(28)11-27)13-4-6-14(7-5-13)20(21,22)23/h2-7,9,15,17,28H,8,10-12H2,1H3
InChIKeyGGANYXPSWRBDMF-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.34
Rot. Bonds3

About 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol

1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 25009468) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID25009468
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)C(O)C2)nc2ncccc21
InChIInChI=1S/C20H21F3N4O/c1-26-16-3-2-9-24-19(16)25-18(26)12-27-10-8-15(17(28)11-27)13-4-6-14(7-5-13)20(21,22)23/h2-7,9,15,17,28H,8,10-12H2,1H3
InChIKeyGGANYXPSWRBDMF-UHFFFAOYSA-N
XLogP3.34
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol (CID 25009468) is 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol is Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)C(O)C2)nc2ncccc21.
What is the InChIKey of 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is GGANYXPSWRBDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-26-16-3-2-9-24-19(16)25-18(26)12-27-10-8-15(17(28)11-27)13-4-6-14(7-5-13)20(21,22)23/h2-7,9,15,17,28H,8,10-12H2,1H3.
What are the key properties of 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 390.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 25009468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).