N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

C14H22N4S — CID 115664524

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4S/c1-10-12-6-11(7-15-9-14(2,3)19-5)8-16-13(12)18(4)17-10/h6,8,15H,7,9H2,1-5H3
InChIKeyWPUXCLDDTHPXLY-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.51
Rot. Bonds5

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 115664524) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID115664524
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4S/c1-10-12-6-11(7-15-9-14(2,3)19-5)8-16-13(12)18(4)17-10/h6,8,15H,7,9H2,1-5H3
InChIKeyWPUXCLDDTHPXLY-UHFFFAOYSA-N
XLogP2.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
CID 63771382
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 115664524) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is WPUXCLDDTHPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-12-6-11(7-15-9-14(2,3)19-5)8-16-13(12)18(4)17-10/h6,8,15H,7,9H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 278.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115664524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).