1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine

C20H27N7O2S — CID 24958986

IUPAC1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
SMILESCN(C)S(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
InChIInChI=1S/C20H27N7O2S/c1-26(2)30(28,29)25-17-11-9-16(10-12-17)23-20-21-13-15-14-22-27(19(15)24-20)18-7-5-3-4-6-8-18/h9-14,18,25H,3-8H2,1-2H3,(H,21,23,24)
InChIKeyUTZTVRSMENETRF-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.68
Rot. Bonds6

About 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine

1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine (PubChem CID 24958986) has the molecular formula C20H27N7O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
PubChem CID24958986
Molecular FormulaC20H27N7O2S
Molecular Weight429.55 g/mol
Exact Mass429.19
IUPAC Name1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
SMILESCN(C)S(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
InChIInChI=1S/C20H27N7O2S/c1-26(2)30(28,29)25-17-11-9-16(10-12-17)23-20-21-13-15-14-22-27(19(15)24-20)18-7-5-3-4-6-8-18/h9-14,18,25H,3-8H2,1-2H3,(H,21,23,24)
InChIKeyUTZTVRSMENETRF-UHFFFAOYSA-N
XLogP3.68
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cycloheptyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 24959348
1-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-2-methylprop-1-en-1-ol
CID 143730565
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
1-cyclohexyl-N-[4-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143984675
1-cyclohexyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143260391
4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59686558
tert-butyl N-[[4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]methyl]-N-(3-methoxypropyl)carbamate
CID 59663121
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
1-N-(7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 58016039
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015759
N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686665

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine (CID 24958986) is 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine is CN(C)S(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1.
What is the InChIKey of 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine?
The InChIKey is UTZTVRSMENETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2S/c1-26(2)30(28,29)25-17-11-9-16(10-12-17)23-20-21-13-15-14-22-27(19(15)24-20)18-7-5-3-4-6-8-18/h9-14,18,25H,3-8H2,1-2H3,(H,21,23,24).
What are the key properties of 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine?
1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine has a molecular weight of 429.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 24958986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).