1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine

C28H33N5O2S — CID 169154288

IUPAC1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C28H33N5O2S/c1-19-27-26(32(4)28(30-27)21-8-12-24(13-9-21)36(5,34)35)18-25(29-19)20-6-10-23(11-7-20)33-16-14-22(15-17-33)31(2)3/h6-13,18,22H,14-17H2,1-5H3
InChIKeyUYYCGIBYZWMARE-UHFFFAOYSA-N
MW503.67 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine

1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 169154288) has the molecular formula C28H33N5O2S and a molecular weight of 503.67 g/mol. Its IUPAC name is 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID169154288
Molecular FormulaC28H33N5O2S
Molecular Weight503.67 g/mol
Exact Mass503.24
IUPAC Name1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C28H33N5O2S/c1-19-27-26(32(4)28(30-27)21-8-12-24(13-9-21)36(5,34)35)18-25(29-19)20-6-10-23(11-7-20)33-16-14-22(15-17-33)31(2)3/h6-13,18,22H,14-17H2,1-5H3
InChIKeyUYYCGIBYZWMARE-UHFFFAOYSA-N
XLogP4.54
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3,7-dimethyl-2-(4-methylsulfonylphenyl)benzimidazol-5-yl]phenyl]-N-ethyl-N-methylpiperidin-4-amine
CID 162736183
1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine
CID 169154282
6-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,4-dimethyl-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735933
3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 169154389
1-methyl-2-(4-methylsulfonylphenyl)-4-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566175
1-methyl-2-(4-methylsulfonylphenyl)-6-[4-[2-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]imidazo[4,5-c]pyridine
CID 169154269
4-[1,4-dimethyl-6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 162736410
1,4-dimethyl-2-(3-methylsulfonylphenyl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrrolo[3,2-c]pyridine
CID 162736348
1,4-dimethyl-2-(4-methylsulfonylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 162735970
1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 141280230
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050
1,4-dimethyl-2-(4-methylsulfonylphenyl)-6-[1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]benzimidazole
CID 162736115

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine (CID 169154288) is 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine is Cc1nc(-c2ccc(N3CCC(N(C)C)CC3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C.
What is the InChIKey of 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is UYYCGIBYZWMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2S/c1-19-27-26(32(4)28(30-27)21-8-12-24(13-9-21)36(5,34)35)18-25(29-19)20-6-10-23(11-7-20)33-16-14-22(15-17-33)31(2)3/h6-13,18,22H,14-17H2,1-5H3.
What are the key properties of 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine?
1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 503.67 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 169154288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).