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

C25H29N7O2S — CID 59400068

IUPAC4-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
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1
InChIInChI=1S/C25H29N7O2S/c1-4-25(2,3)17-9-11-19(12-10-17)35(33,34)32-15-18(13-16-7-5-6-8-21(16)32)28-22-20-14-27-31-23(20)30-24(26)29-22/h5-12,14,18H,4,13,15H2,1-3H3,(H4,26,27,28,29,30,31)
InChIKeyXQFOVQRAVGJBIE-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.85
Rot. Bonds6

About 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

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 (PubChem CID 59400068) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID59400068
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name4-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
SMILESCCC(C)(C)c1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1
InChIInChI=1S/C25H29N7O2S/c1-4-25(2,3)17-9-11-19(12-10-17)35(33,34)32-15-18(13-16-7-5-6-8-21(16)32)28-22-20-14-27-31-23(20)30-24(26)29-22/h5-12,14,18H,4,13,15H2,1-3H3,(H4,26,27,28,29,30,31)
InChIKeyXQFOVQRAVGJBIE-UHFFFAOYSA-N
XLogP3.85
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

4-N-[1-(4-ethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400224
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
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-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
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
tert-butyl N-[1-(4-aminophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 59400239

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)c1ccc(S(=O)(=O)N2CC(Nc3nc(N)nc4[nH]ncc34)Cc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is XQFOVQRAVGJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-4-25(2,3)17-9-11-19(12-10-17)35(33,34)32-15-18(13-16-7-5-6-8-21(16)32)28-22-20-14-27-31-23(20)30-24(26)29-22/h5-12,14,18H,4,13,15H2,1-3H3,(H4,26,27,28,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 491.62 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59400068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).