7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine

C19H19N7S — CID 176918932

IUPAC7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine
SMILESCc1cc2nccnc2cc1Nc1ncc2c(C)nn(C3CCSC3)c2n1
InChIInChI=1S/C19H19N7S/c1-11-7-16-17(21-5-4-20-16)8-15(11)23-19-22-9-14-12(2)25-26(18(14)24-19)13-3-6-27-10-13/h4-5,7-9,13H,3,6,10H2,1-2H3,(H,22,23,24)
InChIKeyQAFGNADTQHKDAP-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.81
Rot. Bonds3

About 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine

7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine (PubChem CID 176918932) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine.

Molecular Properties

Compound Name7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine
PubChem CID176918932
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC Name7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine
SMILESCc1cc2nccnc2cc1Nc1ncc2c(C)nn(C3CCSC3)c2n1
InChIInChI=1S/C19H19N7S/c1-11-7-16-17(21-5-4-20-16)8-15(11)23-19-22-9-14-12(2)25-26(18(14)24-19)13-3-6-27-10-13/h4-5,7-9,13H,3,6,10H2,1-2H3,(H,22,23,24)
InChIKeyQAFGNADTQHKDAP-UHFFFAOYSA-N
XLogP3.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1,1-dimethylthian-4-yl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]-7-methylquinolin-6-amine
CID 176918997
2'-[(7-methylquinoxalin-6-yl)amino]-7'-(thiolan-3-yl)spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 176918875
1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365263
5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
CID 155365271
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
2,6-dimethyl-5-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]-1,2-benzoxazol-3-one;propane
CID 176918981
2-(4,5-difluoro-2-methylanilino)-7-methyl-9-(thiolan-3-yl)purin-8-one;propane
CID 176918891
9-(1,1-dimethylthiepan-4-yl)-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919004
3,5-dimethyl-6-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]-1,3-benzoxazol-2-one;propane
CID 176918889
6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171905
2-fluoro-5-methyl-4-[[7-methyl-8-oxo-9-(thiolan-3-yl)purin-2-yl]amino]benzamide;propane
CID 176918940
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365171

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine?
The IUPAC name of 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine (CID 176918932) is 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine.
What is the SMILES notation for 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine?
The canonical SMILES for 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine is Cc1cc2nccnc2cc1Nc1ncc2c(C)nn(C3CCSC3)c2n1.
What is the InChIKey of 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine?
The InChIKey is QAFGNADTQHKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-11-7-16-17(21-5-4-20-16)8-15(11)23-19-22-9-14-12(2)25-26(18(14)24-19)13-3-6-27-10-13/h4-5,7-9,13H,3,6,10H2,1-2H3,(H,22,23,24).
What are the key properties of 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine?
7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine has a molecular weight of 377.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine is sourced from PubChem (CID 176918932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).