2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine

C22H25F3N4 — CID 42276683

IUPAC2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N4/c1-2-5-20-27-19-8-4-11-26-21(19)29(20)18-9-12-28(13-10-18)15-16-6-3-7-17(14-16)22(23,24)25/h3-4,6-8,11,14,18H,2,5,9-10,12-13,15H2,1H3
InChIKeyJYWZSPHMSSBMDT-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.24
Rot. Bonds5

About 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine

2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 42276683) has the molecular formula C22H25F3N4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID42276683
Molecular FormulaC22H25F3N4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N4/c1-2-5-20-27-19-8-4-11-26-21(19)29(20)18-9-12-28(13-10-18)15-16-6-3-7-17(14-16)22(23,24)25/h3-4,6-8,11,14,18H,2,5,9-10,12-13,15H2,1H3
InChIKeyJYWZSPHMSSBMDT-UHFFFAOYSA-N
XLogP5.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165879
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 118758723
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
CID 42420359
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
3-(1-methylpiperidin-2-yl)-2-propylimidazo[4,5-b]pyridine
CID 117165753
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050175
8-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416492
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine (CID 42276683) is 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is JYWZSPHMSSBMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4/c1-2-5-20-27-19-8-4-11-26-21(19)29(20)18-9-12-28(13-10-18)15-16-6-3-7-17(14-16)22(23,24)25/h3-4,6-8,11,14,18H,2,5,9-10,12-13,15H2,1H3.
What are the key properties of 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine?
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 402.46 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 42276683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).