N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide

C20H24FN7O2S — CID 90016646

IUPACN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
SMILESCN1CCN(CCS(=O)(=O)Nc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H24FN7O2S/c1-27-4-6-28(7-5-27)8-9-31(29,30)26-16-11-14(10-15(21)12-16)17-2-3-18-19(25-17)20(22)24-13-23-18/h2-3,10-13,26H,4-9H2,1H3,(H2,22,23,24)
InChIKeyNCHQVZONMVCJHZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide

N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide (PubChem CID 90016646) has the molecular formula C20H24FN7O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
PubChem CID90016646
Molecular FormulaC20H24FN7O2S
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
SMILESCN1CCN(CCS(=O)(=O)Nc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H24FN7O2S/c1-27-4-6-28(7-5-27)8-9-31(29,30)26-16-11-14(10-15(21)12-16)17-2-3-18-19(25-17)20(22)24-13-23-18/h2-3,10-13,26H,4-9H2,1H3,(H2,22,23,24)
InChIKeyNCHQVZONMVCJHZ-UHFFFAOYSA-N
XLogP1.40
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

pan-RAF Inhibitor XP-102
CID 60152613
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
6-(3-Fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 86703914
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methylsulfonylethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872925
4-amino-6-[[(1S)-1-(6-fluoro-4-methylsulfonyl-3-phenylquinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 49872927
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
4-N-(3-methylphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328329

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide?
The IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide (CID 90016646) is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide.
What is the SMILES notation for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide?
The canonical SMILES for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide is CN1CCN(CCS(=O)(=O)Nc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1.
What is the InChIKey of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide?
The InChIKey is NCHQVZONMVCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O2S/c1-27-4-6-28(7-5-27)8-9-31(29,30)26-16-11-14(10-15(21)12-16)17-2-3-18-19(25-17)20(22)24-13-23-18/h2-3,10-13,26H,4-9H2,1H3,(H2,22,23,24).
What are the key properties of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide?
N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide has a molecular weight of 445.52 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide is sourced from PubChem (CID 90016646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).