4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine

C12H12N4 — CID 1472386

IUPAC4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(-n3cccc3)n[nH]c2n1
InChIInChI=1S/C12H12N4/c1-8-7-9(2)13-11-10(8)12(15-14-11)16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15)
InChIKeyFGIWFQSFCNQKNJ-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.37
Rot. Bonds1

About 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine

4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine (PubChem CID 1472386) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine
PubChem CID1472386
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(-n3cccc3)n[nH]c2n1
InChIInChI=1S/C12H12N4/c1-8-7-9(2)13-11-10(8)12(15-14-11)16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15)
InChIKeyFGIWFQSFCNQKNJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine (CID 1472386) is 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(-n3cccc3)n[nH]c2n1.
What is the InChIKey of 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is FGIWFQSFCNQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-7-9(2)13-11-10(8)12(15-14-11)16-5-3-4-6-16/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine?
4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 212.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-pyrrol-1-yl-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 1472386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).