2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine

C22H24F3N3O2 — CID 46951290

IUPAC2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1
InChIInChI=1S/C22H24F3N3O2/c1-29-16-4-3-15(20(11-16)30-2)13-28-9-7-14(8-10-28)18-12-19-17(26-18)5-6-21(27-19)22(23,24)25/h3-6,11-12,14,26H,7-10,13H2,1-2H3
InChIKeyLYYGOLYVIXCCKV-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.98
Rot. Bonds5

About 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine

2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 46951290) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID46951290
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1
InChIInChI=1S/C22H24F3N3O2/c1-29-16-4-3-15(20(11-16)30-2)13-28-9-7-14(8-10-28)18-12-19-17(26-18)5-6-21(27-19)22(23,24)25/h3-6,11-12,14,26H,7-10,13H2,1-2H3
InChIKeyLYYGOLYVIXCCKV-UHFFFAOYSA-N
XLogP4.98
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

2-methoxy-1-[4-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 95850242
2-(3-methoxyphenyl)-1-[3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110236382
2-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92594818
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
N-[(2,4-dimethoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107078
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-propoxypiperidine
CID 99955836
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CID 46951290) is 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1.
What is the InChIKey of 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is LYYGOLYVIXCCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-29-16-4-3-15(20(11-16)30-2)13-28-9-7-14(8-10-28)18-12-19-17(26-18)5-6-21(27-19)22(23,24)25/h3-6,11-12,14,26H,7-10,13H2,1-2H3.
What are the key properties of 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 419.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 46951290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).