2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline

C22H23N5O2S — CID 8850818

IUPAC2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N5O2S/c1-16-7-9-18(10-8-16)30(28,29)26-13-11-25(12-14-26)22-19-5-3-4-6-20(19)27-21(23-22)15-17(2)24-27/h3-10,15H,11-14H2,1-2H3
InChIKeyYWPQSSJAJVVOFT-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline

2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline (PubChem CID 8850818) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
PubChem CID8850818
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N5O2S/c1-16-7-9-18(10-8-16)30(28,29)26-13-11-25(12-14-26)22-19-5-3-4-6-20(19)27-21(23-22)15-17(2)24-27/h3-10,15H,11-14H2,1-2H3
InChIKeyYWPQSSJAJVVOFT-UHFFFAOYSA-N
XLogP3.01
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 55829240
1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-4-ol
CID 34044694
2-methyl-5-[4-(2-nitrophenyl)piperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 34044557
2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8852980
ethyl 1-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-4-carboxylate
CID 8852975
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
3-chloro-2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 46644311
4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
CID 101434864
(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
CID 55884140
7-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline
CID 46259642
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8850832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline?
The IUPAC name of 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline (CID 8850818) is 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline?
The canonical SMILES for 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline is Cc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1.
What is the InChIKey of 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline?
The InChIKey is YWPQSSJAJVVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-16-7-9-18(10-8-16)30(28,29)26-13-11-25(12-14-26)22-19-5-3-4-6-20(19)27-21(23-22)15-17(2)24-27/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline?
2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline has a molecular weight of 421.53 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8850818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).