N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide

C22H24FN5O2S — CID 123962070

IUPACN-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1Nc1c(C#N)cnc2[nH]c(-c3ccc(F)cc3)cc12)S(C)(=O)=O
InChIInChI=1S/C22H24FN5O2S/c1-28(31(2,29)30)20-6-4-3-5-18(20)26-21-15(12-24)13-25-22-17(21)11-19(27-22)14-7-9-16(23)10-8-14/h7-11,13,18,20H,3-6H2,1-2H3,(H2,25,26,27)
InChIKeyBHUDJIUYKWROJG-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.86
Rot. Bonds5

About N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide

N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide (PubChem CID 123962070) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
PubChem CID123962070
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1Nc1c(C#N)cnc2[nH]c(-c3ccc(F)cc3)cc12)S(C)(=O)=O
InChIInChI=1S/C22H24FN5O2S/c1-28(31(2,29)30)20-6-4-3-5-18(20)26-21-15(12-24)13-25-22-17(21)11-19(27-22)14-7-9-16(23)10-8-14/h7-11,13,18,20H,3-6H2,1-2H3,(H2,25,26,27)
InChIKeyBHUDJIUYKWROJG-UHFFFAOYSA-N
XLogP3.86
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

2-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-7-oxo-3,6-dihydropyrrolo[3,2-f][1,7]naphthyridine-8-carbonitrile
CID 162426587
N-[3-[[[5-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 71277639
4-[(2-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668956
4-(cyclopentylamino)-7-fluoro-6-methoxyquinoline-3-carbonitrile
CID 23498090
2-phenyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 118805090
4-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614947
6-fluoro-8-methyl-4-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]quinoline-3-carbonitrile
CID 133321542
N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide
CID 170396857
N-[3-[[[5-cyano-2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2,5-dihydropyridin-2-yl]-N-methylmethanesulfonamide
CID 123230372
N-[3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 90114852
1-[4-[(5-cyano-1H-pyrrolo[2,3-b]pyridin-4-yl)-methylamino]cyclohexyl]-N-methylmethanesulfonamide
CID 118387042
N-cyclopropyl-3-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzenesulfonamide
CID 90114832

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide (CID 123962070) is N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide is CN(C1CCCCC1Nc1c(C#N)cnc2[nH]c(-c3ccc(F)cc3)cc12)S(C)(=O)=O.
What is the InChIKey of N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide?
The InChIKey is BHUDJIUYKWROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-28(31(2,29)30)20-6-4-3-5-18(20)26-21-15(12-24)13-25-22-17(21)11-19(27-22)14-7-9-16(23)10-8-14/h7-11,13,18,20H,3-6H2,1-2H3,(H2,25,26,27).
What are the key properties of N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide?
N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-cyano-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 123962070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).