[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C24H24N4O2S — CID 97415324

IUPAC[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)c4cccs4)CC3)cc3c2ncn3C)cc1
InChIInChI=1S/C24H24N4O2S/c1-27-15-25-23-20(27)14-19(26-22(23)17-5-7-18(30-2)8-6-17)16-9-11-28(12-10-16)24(29)21-4-3-13-31-21/h3-8,13-16H,9-12H2,1-2H3
InChIKeyPTRQXUGOHWBEMB-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.73
Rot. Bonds4

About [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 97415324) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID97415324
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)c4cccs4)CC3)cc3c2ncn3C)cc1
InChIInChI=1S/C24H24N4O2S/c1-27-15-25-23-20(27)14-19(26-22(23)17-5-7-18(30-2)8-6-17)16-9-11-28(12-10-16)24(29)21-4-3-13-31-21/h3-8,13-16H,9-12H2,1-2H3
InChIKeyPTRQXUGOHWBEMB-UHFFFAOYSA-N
XLogP4.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851768
6-[1-(cyclopropylmethyl)piperidin-4-yl]-4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridine
CID 97447615
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-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
[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
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 97415324) is [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(-c2nc(C3CCN(C(=O)c4cccs4)CC3)cc3c2ncn3C)cc1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PTRQXUGOHWBEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-27-15-25-23-20(27)14-19(26-22(23)17-5-7-18(30-2)8-6-17)16-9-11-28(12-10-16)24(29)21-4-3-13-31-21/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 432.55 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97415324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).