1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine

C12H13N5S — CID 62759821

IUPAC1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cncs3)cc12
InChIInChI=1S/C12H13N5S/c1-8-11-3-9(4-15-12(11)17(2)16-8)14-6-10-5-13-7-18-10/h3-5,7,14H,6H2,1-2H3
InChIKeyDFYYAACSIVZVNR-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.35
Rot. Bonds3

About 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine

1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine (PubChem CID 62759821) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
PubChem CID62759821
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cncs3)cc12
InChIInChI=1S/C12H13N5S/c1-8-11-3-9(4-15-12(11)17(2)16-8)14-6-10-5-13-7-18-10/h3-5,7,14H,6H2,1-2H3
InChIKeyDFYYAACSIVZVNR-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62761757
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 62356069
N-[(5-ethylfuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62344911
1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
CID 61319914
N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 60780857
1,3-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 60811426
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 43725626
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
1,3-dimethyl-N-(2-phenylpropyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725542

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine (CID 62759821) is 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCc3cncs3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is DFYYAACSIVZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-11-3-9(4-15-12(11)17(2)16-8)14-6-10-5-13-7-18-10/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine?
1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 259.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 62759821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).