N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine

C15H18N4S — CID 63771880

IUPACN-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc2c(cnn2Cc2ccc(C)s2)c1
InChIInChI=1S/C15H18N4S/c1-3-16-7-12-6-13-9-18-19(15(13)17-8-12)10-14-5-4-11(2)20-14/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyJLHJNCPLNUNIJU-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.96
Rot. Bonds5

About N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine

N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine (PubChem CID 63771880) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
PubChem CID63771880
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc2c(cnn2Cc2ccc(C)s2)c1
InChIInChI=1S/C15H18N4S/c1-3-16-7-12-6-13-9-18-19(15(13)17-8-12)10-14-5-4-11(2)20-14/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyJLHJNCPLNUNIJU-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine (CID 63771880) is N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine is CCNCc1cnc2c(cnn2Cc2ccc(C)s2)c1.
What is the InChIKey of N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The InChIKey is JLHJNCPLNUNIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-16-7-12-6-13-9-18-19(15(13)17-8-12)10-14-5-4-11(2)20-14/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methylthiophen-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine is sourced from PubChem (CID 63771880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).