N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide

C23H25N7O2S — CID 22031924

IUPACN-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C23H25N7O2S/c1-28(33(2,31)32)19-4-3-5-20(13-19)29-8-10-30(11-9-29)23-21-12-17(18-14-26-27-15-18)6-7-22(21)24-16-25-23/h3-7,12-16H,8-11H2,1-2H3,(H,26,27)
InChIKeyYGAFFILBZIYESI-UHFFFAOYSA-N
MW463.57 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide

N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 22031924) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID22031924
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC NameN-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCN(c1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)S(C)(=O)=O
InChIInChI=1S/C23H25N7O2S/c1-28(33(2,31)32)19-4-3-5-20(13-19)29-8-10-30(11-9-29)23-21-12-17(18-14-26-27-15-18)6-7-22(21)24-16-25-23/h3-7,12-16H,8-11H2,1-2H3,(H,26,27)
InChIKeyYGAFFILBZIYESI-UHFFFAOYSA-N
XLogP2.74
TPSA98.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide 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

3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
US10485800, Cmpd ID FS
CID 54765268
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
3-({4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 25138050
N~1~-[2-(1h-Indazol-5-Yl)pyrido[3,4-D]pyrimidin-4-Yl]-2-Methylpropane-1,2-Diamine
CID 78673872
N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
CID 138455164
N-[2-[[[3-[6-(piperidin-4-ylamino)-3-pyridinyl]-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155543447
N-(3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)phenyl)methanesulfonamide
CID 15980167
2-[[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 46207055
2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-N,N-dimethyl-6-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 46207072
5-phenyl-2-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204906
N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine
CID 68621678

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide (CID 22031924) is N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide is CN(c1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is YGAFFILBZIYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-28(33(2,31)32)19-4-3-5-20(13-19)29-8-10-30(11-9-29)23-21-12-17(18-14-26-27-15-18)6-7-22(21)24-16-25-23/h3-7,12-16H,8-11H2,1-2H3,(H,26,27).
What are the key properties of N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 463.57 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22031924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).