1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine

C13H15N5S — CID 63656201

IUPAC1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCc3nccs3)cnc21
InChIInChI=1S/C13H15N5S/c1-9(2)18-13-10(6-17-18)5-11(7-16-13)15-8-12-14-3-4-19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyNHBUUVAOMYIVBP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.08
Rot. Bonds4

About 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine

1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 63656201) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine
PubChem CID63656201
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine
SMILESCC(C)n1ncc2cc(NCc3nccs3)cnc21
InChIInChI=1S/C13H15N5S/c1-9(2)18-13-10(6-17-18)5-11(7-16-13)15-8-12-14-3-4-19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyNHBUUVAOMYIVBP-UHFFFAOYSA-N
XLogP3.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 43663311
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683323
N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683322
N-(furan-3-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 55161070
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28781610
N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 62536786
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 65464709
5-methyl-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 103823906
1-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040136
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine (CID 63656201) is 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine is CC(C)n1ncc2cc(NCc3nccs3)cnc21.
What is the InChIKey of 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is NHBUUVAOMYIVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9(2)18-13-10(6-17-18)5-11(7-16-13)15-8-12-14-3-4-19-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine?
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 273.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 63656201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).