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

C14H22N4OS — CID 115697655

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine
SMILESCc1nn(C)c2ncc(CNC(C)CCS(C)=O)cc12
InChIInChI=1S/C14H22N4OS/c1-10(5-6-20(4)19)15-8-12-7-13-11(2)17-18(3)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyQYPSMVKNHCGGQV-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.52
Rot. Bonds6

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

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine (PubChem CID 115697655) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine
PubChem CID115697655
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine
SMILESCc1nn(C)c2ncc(CNC(C)CCS(C)=O)cc12
InChIInChI=1S/C14H22N4OS/c1-10(5-6-20(4)19)15-8-12-7-13-11(2)17-18(3)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyQYPSMVKNHCGGQV-UHFFFAOYSA-N
XLogP1.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine (CID 115697655) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine is Cc1nn(C)c2ncc(CNC(C)CCS(C)=O)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine?
The InChIKey is QYPSMVKNHCGGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10(5-6-20(4)19)15-8-12-7-13-11(2)17-18(3)14(13)16-9-12/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-methylsulfinylbutan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 1.52, 6 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]-4-methylsulfinylbutan-2-amine is sourced from PubChem (CID 115697655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).