N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

C23H27N7O2S — CID 6539029

IUPACN-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(H,24,26,27)
InChIKeyRNLFZYRGFMHTMW-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.11
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide

N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 6539029) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
PubChem CID6539029
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC NameN-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide
SMILESCN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(H,24,26,27)
InChIKeyRNLFZYRGFMHTMW-UHFFFAOYSA-N
XLogP3.11
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Pf-05212377
CID 46203710
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
DB-02197
CID 5288527
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
Ruserontinib
CID 54760385
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
4-((4-(1-Cyclopropyl-2-methyl-1H-imidazol-5-YL)pyrimidin-2-YL)amino)-N-methylbenzenesulfonamide
CID 24901723

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide (CID 6539029) is N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is RNLFZYRGFMHTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(H,24,26,27).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6539029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).