N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide

C22H17FN6O2S — CID 167133118

IUPACN-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c(F)c2)nc2cnc(N)nc12
InChIInChI=1S/C22H17FN6O2S/c1-13-8-19(27-20-11-26-22(25)28-21(13)20)16-6-7-18(17(23)9-16)29-32(30,31)12-15-4-2-14(10-24)3-5-15/h2-9,11,29H,12H2,1H3,(H2,25,26,28)
InChIKeyRFEDOSRKQSBZJN-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.54
Rot. Bonds5

About N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide

N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 167133118) has the molecular formula C22H17FN6O2S and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide
PubChem CID167133118
Molecular FormulaC22H17FN6O2S
Molecular Weight448.48 g/mol
Exact Mass448.11
IUPAC NameN-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c(F)c2)nc2cnc(N)nc12
InChIInChI=1S/C22H17FN6O2S/c1-13-8-19(27-20-11-26-22(25)28-21(13)20)16-6-7-18(17(23)9-16)29-32(30,31)12-15-4-2-14(10-24)3-5-15/h2-9,11,29H,12H2,1H3,(H2,25,26,28)
InChIKeyRFEDOSRKQSBZJN-UHFFFAOYSA-N
XLogP3.54
TPSA134.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide 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-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide (CID 167133118) is N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide is Cc1cc(-c2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c(F)c2)nc2cnc(N)nc12.
What is the InChIKey of N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is RFEDOSRKQSBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2S/c1-13-8-19(27-20-11-26-22(25)28-21(13)20)16-6-7-18(17(23)9-16)29-32(30,31)12-15-4-2-14(10-24)3-5-15/h2-9,11,29H,12H2,1H3,(H2,25,26,28).
What are the key properties of N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide?
N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 448.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-8-methylpyrido[3,2-d]pyrimidin-6-yl)-2-fluorophenyl]-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 167133118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).