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

C28H25F6N5O5 — CID 155837911

IUPAC[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N5O.2C2HF3O2/c1-28-16-26-23-21(28)14-20(27-22(23)19-8-5-11-25-15-19)17-9-12-29(13-10-17)24(30)18-6-3-2-4-7-18;2*3-2(4,5)1(6)7/h2-8,11,14-17H,9-10,12-13H2,1H3;2*(H,6,7)
InChIKeyIVWNDSTYOQENCE-UHFFFAOYSA-N
MW625.53 g/mol
LogP5.32
Rot. Bonds3

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

[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155837911) has the molecular formula C28H25F6N5O5 and a molecular weight of 625.53 g/mol. Its IUPAC name is [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155837911
Molecular FormulaC28H25F6N5O5
Molecular Weight625.53 g/mol
Exact Mass625.18
IUPAC Name[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N5O.2C2HF3O2/c1-28-16-26-23-21(28)14-20(27-22(23)19-8-5-11-25-15-19)17-9-12-29(13-10-17)24(30)18-6-3-2-4-7-18;2*3-2(4,5)1(6)7/h2-8,11,14-17H,9-10,12-13H2,1H3;2*(H,6,7)
InChIKeyIVWNDSTYOQENCE-UHFFFAOYSA-N
XLogP5.32
TPSA138.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.53
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[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-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
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155825579
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
furan-3-yl-[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
CID 97415351
4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851768
[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155869233
6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridine
CID 97415283
[4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837546
(4-chloro-3-methylphenyl)-[4-[4-(cyclopropylmethylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171694441
furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841127

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [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) is [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid) is Cn1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IVWNDSTYOQENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.2C2HF3O2/c1-28-16-26-23-21(28)14-20(27-22(23)19-8-5-11-25-15-19)17-9-12-29(13-10-17)24(30)18-6-3-2-4-7-18;2*3-2(4,5)1(6)7/h2-8,11,14-17H,9-10,12-13H2,1H3;2*(H,6,7).
What are the key properties of [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)?
[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 625.53 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155837911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).