6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C26H25F6N5O5 — CID 155849243

IUPAC6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccoc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O.2C2HF3O2/c1-26-15-24-22-20(26)11-19(25-21(22)18-3-2-7-23-12-18)17-4-8-27(9-5-17)13-16-6-10-28-14-16;2*3-2(4,5)1(6)7/h2-3,6-7,10-12,14-15,17H,4-5,8-9,13H2,1H3;2*(H,6,7)
InChIKeyQTSLGPPBFMZCLC-UHFFFAOYSA-N
MW601.50 g/mol
LogP5.27
Rot. Bonds4

About 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155849243) has the molecular formula C26H25F6N5O5 and a molecular weight of 601.50 g/mol. Its IUPAC name is 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155849243
Molecular FormulaC26H25F6N5O5
Molecular Weight601.50 g/mol
Exact Mass601.18
IUPAC Name6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccoc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O.2C2HF3O2/c1-26-15-24-22-20(26)11-19(25-21(22)18-3-2-7-23-12-18)17-4-8-27(9-5-17)13-16-6-10-28-14-16;2*3-2(4,5)1(6)7/h2-3,6-7,10-12,14-15,17H,4-5,8-9,13H2,1H3;2*(H,6,7)
InChIKeyQTSLGPPBFMZCLC-UHFFFAOYSA-N
XLogP5.27
TPSA134.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415259
6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415283
[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911
furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850386
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-methyl-4-phenylimidazo[4,5-c]pyridine
CID 97415265
[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155850430
furan-3-yl-[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
CID 97415351
1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
CID 97415349
6-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415345
5-methyl-3-[[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97447652
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid
CID 155845581

Frequently Asked Questions

What is the IUPAC name of 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 155849243) is 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccoc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QTSLGPPBFMZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.2C2HF3O2/c1-26-15-24-22-20(26)11-19(25-21(22)18-3-2-7-23-12-18)17-4-8-27(9-5-17)13-16-6-10-28-14-16;2*3-2(4,5)1(6)7/h2-3,6-7,10-12,14-15,17H,4-5,8-9,13H2,1H3;2*(H,6,7).
What are the key properties of 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 601.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155849243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).