7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

C22H22N8O2S — CID 155566377

IUPAC7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCS(=O)(=O)N1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C22H22N8O2S/c1-33(31,32)30-10-8-29(9-11-30)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21/h2-7,12-15H,8-11H2,1H3,(H,24,25,28)
InChIKeyPFIQQFZOGMPHBQ-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.31
Rot. Bonds5

About 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155566377) has the molecular formula C22H22N8O2S and a molecular weight of 462.54 g/mol. Its IUPAC name is 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155566377
Molecular FormulaC22H22N8O2S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCS(=O)(=O)N1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C22H22N8O2S/c1-33(31,32)30-10-8-29(9-11-30)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21/h2-7,12-15H,8-11H2,1H3,(H,24,25,28)
InChIKeyPFIQQFZOGMPHBQ-UHFFFAOYSA-N
XLogP2.31
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine 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

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
Sovleplenib
CID 71113742
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
(5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine
CID 10238224
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
N-(5-chloropyrimidin-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine
CID 122196557
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 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155566377) is 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CS(=O)(=O)N1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is PFIQQFZOGMPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2S/c1-33(31,32)30-10-8-29(9-11-30)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21/h2-7,12-15H,8-11H2,1H3,(H,24,25,28).
What are the key properties of 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 462.54 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155566377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).