N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide

C18H18FN7O2S — CID 122669814

IUPACN-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H18FN7O2S/c1-11-13-10-22-18(17-20-5-3-6-21-17)23-14(13)4-7-26(11)16-9-12(19)8-15(24-16)25-29(2,27)28/h3,5-6,8-11H,4,7H2,1-2H3,(H,24,25)
InChIKeyLJGDYJPKNKUHEG-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.96
Rot. Bonds4

About N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide

N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide (PubChem CID 122669814) has the molecular formula C18H18FN7O2S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide
PubChem CID122669814
Molecular FormulaC18H18FN7O2S
Molecular Weight415.45 g/mol
Exact Mass415.12
IUPAC NameN-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H18FN7O2S/c1-11-13-10-22-18(17-20-5-3-6-21-17)23-14(13)4-7-26(11)16-9-12(19)8-15(24-16)25-29(2,27)28/h3,5-6,8-11H,4,7H2,1-2H3,(H,24,25)
InChIKeyLJGDYJPKNKUHEG-UHFFFAOYSA-N
XLogP1.96
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]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-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide (CID 122669814) is N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)cc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide?
The InChIKey is LJGDYJPKNKUHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2S/c1-11-13-10-22-18(17-20-5-3-6-21-17)23-14(13)4-7-26(11)16-9-12(19)8-15(24-16)25-29(2,27)28/h3,5-6,8-11H,4,7H2,1-2H3,(H,24,25).
What are the key properties of N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide?
N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide has a molecular weight of 415.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).