1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine

C13H13N5 — CID 96592281

IUPAC1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCc1nc2c(cc1N)c(-c1ccncc1)nn2C
InChIInChI=1S/C13H13N5/c1-8-11(14)7-10-12(9-3-5-15-6-4-9)17-18(2)13(10)16-8/h3-7H,14H2,1-2H3
InChIKeyNBEBINVILUJFFT-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds1

About 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine

1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 96592281) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID96592281
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCc1nc2c(cc1N)c(-c1ccncc1)nn2C
InChIInChI=1S/C13H13N5/c1-8-11(14)7-10-12(9-3-5-15-6-4-9)17-18(2)13(10)16-8/h3-7H,14H2,1-2H3
InChIKeyNBEBINVILUJFFT-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine (CID 96592281) is 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine is Cc1nc2c(cc1N)c(-c1ccncc1)nn2C.
What is the InChIKey of 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is NBEBINVILUJFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-11(14)7-10-12(9-3-5-15-6-4-9)17-18(2)13(10)16-8/h3-7H,14H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine?
1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 96592281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).