N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide

C20H17BrN6O2S — CID 54391643

IUPACN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1)S(C)(=O)=O
InChIInChI=1S/C20H17BrN6O2S/c1-27(30(2,28)29)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
InChIKeyVHAVOLVSMPSXBA-UHFFFAOYSA-N
MW485.37 g/mol
LogP3.49
Rot. Bonds4

About N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide

N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 54391643) has the molecular formula C20H17BrN6O2S and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID54391643
Molecular FormulaC20H17BrN6O2S
Molecular Weight485.37 g/mol
Exact Mass484.03
IUPAC NameN-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1)S(C)(=O)=O
InChIInChI=1S/C20H17BrN6O2S/c1-27(30(2,28)29)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
InChIKeyVHAVOLVSMPSXBA-UHFFFAOYSA-N
XLogP3.49
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-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-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide (CID 54391643) is N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide is CN(c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1)S(C)(=O)=O.
What is the InChIKey of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is VHAVOLVSMPSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6O2S/c1-27(30(2,28)29)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26).
What are the key properties of N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 485.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 54391643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).