N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide

C19H32N6OS — CID 16902243

IUPACN-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide
SMILESCCSc1nc(NCC(C)C)c2cnn(CCNC(=O)CC(C)(C)C)c2n1
InChIInChI=1S/C19H32N6OS/c1-7-27-18-23-16(21-11-13(2)3)14-12-22-25(17(14)24-18)9-8-20-15(26)10-19(4,5)6/h12-13H,7-11H2,1-6H3,(H,20,26)(H,21,23,24)
InChIKeyCTDPBQIQNQIYHH-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.56
Rot. Bonds9

About N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 16902243) has the molecular formula C19H32N6OS and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID16902243
Molecular FormulaC19H32N6OS
Molecular Weight392.57 g/mol
Exact Mass392.24
IUPAC NameN-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide
SMILESCCSc1nc(NCC(C)C)c2cnn(CCNC(=O)CC(C)(C)C)c2n1
InChIInChI=1S/C19H32N6OS/c1-7-27-18-23-16(21-11-13(2)3)14-12-22-25(17(14)24-18)9-8-20-15(26)10-19(4,5)6/h12-13H,7-11H2,1-6H3,(H,20,26)(H,21,23,24)
InChIKeyCTDPBQIQNQIYHH-UHFFFAOYSA-N
XLogP3.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,1-dibutyl-6-butylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 168269934
N,2-dibutyl-6-butylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 168292307
N-(2-(4-((2-methoxyethyl)amino)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)cyclopentanecarboxamide
CID 16901218
N-(2-(6-(methylthio)-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)propionamide
CID 16901503
3-chloro-2,2-dimethyl-N-(2-(6-(methylthio)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)propanamide
CID 16901672
N-(2-(6-(ethylthio)-4-(isopropylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)cyclohexanecarboxamide
CID 16902100
1-(2-aminoethyl)-6-(methylthio)-N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 33677516
1-(2-aminoethyl)-6-(ethylthio)-N-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 33677553
1-(2-aminoethyl)-6-(ethylthio)-N-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 33677558
3-methyl-N-(2-(4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)butanamide
CID 42099663
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 133783707
N-(2-(6-(methylthio)-4-(propylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-propylpentanamide
CID 16809583

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide (CID 16902243) is N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide is CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)CC(C)(C)C)c2n1.
What is the InChIKey of N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is CTDPBQIQNQIYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6OS/c1-7-27-18-23-16(21-11-13(2)3)14-12-22-25(17(14)24-18)9-8-20-15(26)10-19(4,5)6/h12-13H,7-11H2,1-6H3,(H,20,26)(H,21,23,24).
What are the key properties of N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 392.57 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 16902243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).