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

C22H22FN5O2S — CID 71504922

IUPACN-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1NCc1cccnc1N(C)S(C)(=O)=O
InChIInChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27)
InChIKeyVVGHLWIQDHRRGH-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.08
Rot. Bonds6

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

N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 71504922) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID71504922
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC NameN-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1NCc1cccnc1N(C)S(C)(=O)=O
InChIInChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27)
InChIKeyVVGHLWIQDHRRGH-UHFFFAOYSA-N
XLogP4.08
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide (CID 71504922) is N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide is Cc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1NCc1cccnc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is VVGHLWIQDHRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27).
What are the key properties of N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 439.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-fluorophenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71504922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).