5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde

C12H10N4O — CID 91582903

IUPAC5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde
SMILESCc1cnc2c(ccn2-c2[nH]ncc2C=O)c1
InChIInChI=1S/C12H10N4O/c1-8-4-9-2-3-16(11(9)13-5-8)12-10(7-17)6-14-15-12/h2-7H,1H3,(H,14,15)
InChIKeyOYPBIHBTYGHIBL-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.87
Rot. Bonds2

About 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde

5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde (PubChem CID 91582903) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde
PubChem CID91582903
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde
SMILESCc1cnc2c(ccn2-c2[nH]ncc2C=O)c1
InChIInChI=1S/C12H10N4O/c1-8-4-9-2-3-16(11(9)13-5-8)12-10(7-17)6-14-15-12/h2-7H,1H3,(H,14,15)
InChIKeyOYPBIHBTYGHIBL-UHFFFAOYSA-N
XLogP1.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde (CID 91582903) is 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde is Cc1cnc2c(ccn2-c2[nH]ncc2C=O)c1.
What is the InChIKey of 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is OYPBIHBTYGHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-4-9-2-3-16(11(9)13-5-8)12-10(7-17)6-14-15-12/h2-7H,1H3,(H,14,15).
What are the key properties of 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde?
5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 226.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 91582903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).