3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine

C13H13N5O — CID 71253770

IUPAC3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(-c3cnn(C4COC4)c3)cc12
InChIInChI=1S/C13H13N5O/c1-8-11-2-12(14-4-13(11)17-16-8)9-3-15-18(5-9)10-6-19-7-10/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKeyTVQWWPPRRXPQMU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds2

About 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine

3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine (PubChem CID 71253770) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine
PubChem CID71253770
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine
SMILESCc1[nH]nc2cnc(-c3cnn(C4COC4)c3)cc12
InChIInChI=1S/C13H13N5O/c1-8-11-2-12(14-4-13(11)17-16-8)9-3-15-18(5-9)10-6-19-7-10/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKeyTVQWWPPRRXPQMU-UHFFFAOYSA-N
XLogP1.70
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
2-{[2-(1h-Pyrazolo[3,4-C]pyridin-3-Yl)-6-(Trifluoromethyl)pyridin-4-Yl]amino}ethanol
CID 72724831
5-(4-(methoxymethyl)-1H-1,2,3-triazol-1-yl)-1H-indazole
CID 44189584
3-(pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253646
3-phenyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253684
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
3-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512722
US10435405, Example 180
CID 134327764
US10435405, Example 182
CID 134328096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine (CID 71253770) is 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine is Cc1[nH]nc2cnc(-c3cnn(C4COC4)c3)cc12.
What is the InChIKey of 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is TVQWWPPRRXPQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-11-2-12(14-4-13(11)17-16-8)9-3-15-18(5-9)10-6-19-7-10/h2-5,10H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine?
3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 255.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).