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

C22H23N7O2S — CID 22032155

IUPACN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1
InChIInChI=1S/C22H23N7O2S/c1-32(30,31)27-18-3-2-4-19(12-18)28-7-9-29(10-8-28)22-20-11-16(17-13-25-26-14-17)5-6-21(20)23-15-24-22/h2-6,11-15,27H,7-10H2,1H3,(H,25,26)
InChIKeyFBIYDXMRQOZBAO-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.72
Rot. Bonds5

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

N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 22032155) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID22032155
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC NameN-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1
InChIInChI=1S/C22H23N7O2S/c1-32(30,31)27-18-3-2-4-19(12-18)28-7-9-29(10-8-28)22-20-11-16(17-13-25-26-14-17)5-6-21(20)23-15-24-22/h2-6,11-15,27H,7-10H2,1H3,(H,25,26)
InChIKeyFBIYDXMRQOZBAO-UHFFFAOYSA-N
XLogP2.72
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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
N-(2-methylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57397372
5-phenyl-2-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204906

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide (CID 22032155) is N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)c1.
What is the InChIKey of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is FBIYDXMRQOZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-32(30,31)27-18-3-2-4-19(12-18)28-7-9-29(10-8-28)22-20-11-16(17-13-25-26-14-17)5-6-21(20)23-15-24-22/h2-6,11-15,27H,7-10H2,1H3,(H,25,26).
What are the key properties of N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide?
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22032155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).