N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine

C15H18N4S — CID 63772068

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3ccsc3)cc12
InChIInChI=1S/C15H18N4S/c1-10(13-4-5-20-9-13)16-7-12-6-14-11(2)18-19(3)15(14)17-8-12/h4-6,8-10,16H,7H2,1-3H3
InChIKeyYPDUHFOKSHLGGA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.19
Rot. Bonds4

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 63772068) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID63772068
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3ccsc3)cc12
InChIInChI=1S/C15H18N4S/c1-10(13-4-5-20-9-13)16-7-12-6-14-11(2)18-19(3)15(14)17-8-12/h4-6,8-10,16H,7H2,1-3H3
InChIKeyYPDUHFOKSHLGGA-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.19
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]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine (CID 63772068) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine is Cc1nn(C)c2ncc(CNC(C)c3ccsc3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is YPDUHFOKSHLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(13-4-5-20-9-13)16-7-12-6-14-11(2)18-19(3)15(14)17-8-12/h4-6,8-10,16H,7H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 286.40 g/mol, XLogP of 3.19, 4 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]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 63772068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).