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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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 46885627
3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 45791858
4-(1H-Pyrazol-4-yl)-7-(2-(trimethylsilyl)ethoxy)methyl-7 H-pyrrolo(2,3-d)-pyrimidine
CID 42631346
4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 137633222
4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 1472386
5-[2-(5-Fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500169
7-(Methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441427
N-methyl-N-(pyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 237118
3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione
CID 177168138
N-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-2-yl]acetamide
CID 118237912
US9533987, example 117
CID 135120956
1H-Pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 55265609

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).