N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C20H21N5S — CID 119125409

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3nc(-c4ccccc4)cs3)cc12
InChIInChI=1S/C20H21N5S/c1-13-17-9-15(11-22-19(17)25(3)24-13)10-21-14(2)20-23-18(12-26-20)16-7-5-4-6-8-16/h4-9,11-12,14,21H,10H2,1-3H3
InChIKeyQAWCYVLWFVDZNH-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.25
Rot. Bonds5

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 119125409) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID119125409
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nn(C)c2ncc(CNC(C)c3nc(-c4ccccc4)cs3)cc12
InChIInChI=1S/C20H21N5S/c1-13-17-9-15(11-22-19(17)25(3)24-13)10-21-14(2)20-23-18(12-26-20)16-7-5-4-6-8-16/h4-9,11-12,14,21H,10H2,1-3H3
InChIKeyQAWCYVLWFVDZNH-UHFFFAOYSA-N
XLogP4.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 119125409) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine is Cc1nn(C)c2ncc(CNC(C)c3nc(-c4ccccc4)cs3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is QAWCYVLWFVDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-13-17-9-15(11-22-19(17)25(3)24-13)10-21-14(2)20-23-18(12-26-20)16-7-5-4-6-8-16/h4-9,11-12,14,21H,10H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 363.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 119125409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).