4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C22H23N7O2S — CID 59400224

IUPAC4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1
InChIInChI=1S/C22H23N7O2S/c1-2-14-7-9-17(10-8-14)32(30,31)29-13-16(11-15-5-3-4-6-19(15)29)25-20-18-12-24-28-21(18)27-22(23)26-20/h3-10,12,16H,2,11,13H2,1H3,(H4,23,24,25,26,27,28)
InChIKeyMMICKDSENYHQON-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.73
Rot. Bonds5

About 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 59400224) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID59400224
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC Name4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1
InChIInChI=1S/C22H23N7O2S/c1-2-14-7-9-17(10-8-14)32(30,31)29-13-16(11-15-5-3-4-6-19(15)29)25-20-18-12-24-28-21(18)27-22(23)26-20/h3-10,12,16H,2,11,13H2,1H3,(H4,23,24,25,26,27,28)
InChIKeyMMICKDSENYHQON-UHFFFAOYSA-N
XLogP2.73
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400068
4-N-[1-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400078
1-[4-[[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-3-(9H-fluoren-2-yl)urea
CID 59400305
1-[3-[[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-3-(3-methylphenyl)urea
CID 59400084
1-[3-[[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-3-(2-chlorophenyl)urea
CID 59400205
1-[3-[[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-3-(9H-fluoren-2-yl)urea
CID 59400268
4-N-[1-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400193
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;(3S)-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-amine;4-N-[(3S)-1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 157232515
ethyl 4-[[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinoline-1-carbonyl]amino]benzoate
CID 59400147
4-N-[1-[[2-(4-methoxyphenoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400238
1-[3-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 59400123
(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
CID 97318248

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 59400224) is 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCc1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1.
What is the InChIKey of 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MMICKDSENYHQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-2-14-7-9-17(10-8-14)32(30,31)29-13-16(11-15-5-3-4-6-19(15)29)25-20-18-12-24-28-21(18)27-22(23)26-20/h3-10,12,16H,2,11,13H2,1H3,(H4,23,24,25,26,27,28).
What are the key properties of 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 449.54 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 59400224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).