1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine

C13H14N4 — CID 4209966

IUPAC1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(-n3cccc3)nn(C)c2n1
InChIInChI=1S/C13H14N4/c1-9-8-10(2)14-12-11(9)13(15-16(12)3)17-6-4-5-7-17/h4-8H,1-3H3
InChIKeyMNAQRWTVZJATSM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.38
Rot. Bonds1

About 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine

1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine (PubChem CID 4209966) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
PubChem CID4209966
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(-n3cccc3)nn(C)c2n1
InChIInChI=1S/C13H14N4/c1-9-8-10(2)14-12-11(9)13(15-16(12)3)17-6-4-5-7-17/h4-8H,1-3H3
InChIKeyMNAQRWTVZJATSM-UHFFFAOYSA-N
XLogP2.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine (CID 4209966) is 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(-n3cccc3)nn(C)c2n1.
What is the InChIKey of 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
The InChIKey is MNAQRWTVZJATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-8-10(2)14-12-11(9)13(15-16(12)3)17-6-4-5-7-17/h4-8H,1-3H3.
What are the key properties of 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine?
1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 4209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).