N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine

C25H23F2N7O2S — CID 58398871

IUPACN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cc4cn(C)cn4)nc(NC(C)c4ncc(F)cc4F)nc32)cc1
InChIInChI=1S/C25H23F2N7O2S/c1-15-4-6-19(7-5-15)37(35,36)34-9-8-20-22(11-18-13-33(3)14-29-18)31-25(32-24(20)34)30-16(2)23-21(27)10-17(26)12-28-23/h4-10,12-14,16H,11H2,1-3H3,(H,30,31,32)
InChIKeyJGLKWCRQDDOIFW-UHFFFAOYSA-N
MW523.57 g/mol
LogP4.15
Rot. Bonds7

About N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine

N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58398871) has the molecular formula C25H23F2N7O2S and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58398871
Molecular FormulaC25H23F2N7O2S
Molecular Weight523.57 g/mol
Exact Mass523.16
IUPAC NameN-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cc4cn(C)cn4)nc(NC(C)c4ncc(F)cc4F)nc32)cc1
InChIInChI=1S/C25H23F2N7O2S/c1-15-4-6-19(7-5-15)37(35,36)34-9-8-20-22(11-18-13-33(3)14-29-18)31-25(32-24(20)34)30-16(2)23-21(27)10-17(26)12-28-23/h4-10,12-14,16H,11H2,1-3H3,(H,30,31,32)
InChIKeyJGLKWCRQDDOIFW-UHFFFAOYSA-N
XLogP4.15
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pan-RAF Inhibitor XP-102
CID 60152613
DB-02197
CID 5288527
BB-823
CID 9954410
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
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
Sulfonamide deriv. 3e
CID 6539028
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine (CID 58398871) is N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1ccc(S(=O)(=O)n2ccc3c(Cc4cn(C)cn4)nc(NC(C)c4ncc(F)cc4F)nc32)cc1.
What is the InChIKey of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is JGLKWCRQDDOIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O2S/c1-15-4-6-19(7-5-15)37(35,36)34-9-8-20-22(11-18-13-33(3)14-29-18)31-25(32-24(20)34)30-16(2)23-21(27)10-17(26)12-28-23/h4-10,12-14,16H,11H2,1-3H3,(H,30,31,32).
What are the key properties of N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine?
N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 523.57 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).