3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

C11H11N5 — CID 66555773

IUPAC3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
InChIKeyKRZISEJJNXEPAC-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.67
Rot. Bonds1

About 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 66555773) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID66555773
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
InChIKeyKRZISEJJNXEPAC-UHFFFAOYSA-N
XLogP1.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 66555773) is 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is Cc1[nH]nc2ncc(-c3cnn(C)c3)cc12.
What is the InChIKey of 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KRZISEJJNXEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 213.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 66555773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).