1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine

C11H9N5 — CID 141403325

IUPAC1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2cc(-c3ccncn3)cnc21
InChIInChI=1S/C11H9N5/c1-16-11-9(6-15-16)4-8(5-13-11)10-2-3-12-7-14-10/h2-7H,1H3
InChIKeyJYDNJYYASBMQND-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.43
Rot. Bonds1

About 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine

1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 141403325) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID141403325
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1ncc2cc(-c3ccncn3)cnc21
InChIInChI=1S/C11H9N5/c1-16-11-9(6-15-16)4-8(5-13-11)10-2-3-12-7-14-10/h2-7H,1H3
InChIKeyJYDNJYYASBMQND-UHFFFAOYSA-N
XLogP1.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine
CID 141095128
1-methyl-5-pyridin-3-ylpyrazolo[3,4-b]pyridine
CID 70543936
4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol
CID 139537130
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
3,3-dimethyl-6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1H-indol-2-one
CID 155966910
6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride
CID 21496112
4-N-[6-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]cyclohexane-1,4-diamine
CID 166300721
4-methoxy-6-(4-methylpiperazin-1-yl)-3-N-[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 118351789
1-methyl-5-[1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyridin-5-yl]pyrazolo[3,4-b]pyridine
CID 167943942
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 165403100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine (CID 141403325) is 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine is Cn1ncc2cc(-c3ccncn3)cnc21.
What is the InChIKey of 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is JYDNJYYASBMQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-16-11-9(6-15-16)4-8(5-13-11)10-2-3-12-7-14-10/h2-7H,1H3.
What are the key properties of 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine?
1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 211.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrimidin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 141403325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).