1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid

C14H14N4O2 — CID 25247975

IUPAC1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESCc1cn(C)c2nc(-c3cnn(C)c3)cc(C(=O)O)c12
InChIInChI=1S/C14H14N4O2/c1-8-6-17(2)13-12(8)10(14(19)20)4-11(16-13)9-5-15-18(3)7-9/h4-7H,1-3H3,(H,19,20)
InChIKeyGKAAGMBHVIREON-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.98
Rot. Bonds2

About 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid

1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid (PubChem CID 25247975) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
PubChem CID25247975
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid
SMILESCc1cn(C)c2nc(-c3cnn(C)c3)cc(C(=O)O)c12
InChIInChI=1S/C14H14N4O2/c1-8-6-17(2)13-12(8)10(14(19)20)4-11(16-13)9-5-15-18(3)7-9/h4-7H,1-3H3,(H,19,20)
InChIKeyGKAAGMBHVIREON-UHFFFAOYSA-N
XLogP1.98
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid (CID 25247975) is 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid is Cc1cn(C)c2nc(-c3cnn(C)c3)cc(C(=O)O)c12.
What is the InChIKey of 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is GKAAGMBHVIREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-6-17(2)13-12(8)10(14(19)20)4-11(16-13)9-5-15-18(3)7-9/h4-7H,1-3H3,(H,19,20).
What are the key properties of 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid?
1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).