(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C13H12N4O — CID 58087209

IUPAC(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncccc23)n(C)n1
InChIInChI=1S/C13H12N4O/c1-8-6-11(17(2)16-8)12(18)10-7-15-13-9(10)4-3-5-14-13/h3-7H,1-2H3,(H,14,15)
InChIKeyJRJAZFGXSZGRGL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.84
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58087209) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58087209
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncccc23)n(C)n1
InChIInChI=1S/C13H12N4O/c1-8-6-11(17(2)16-8)12(18)10-7-15-13-9(10)4-3-5-14-13/h3-7H,1-2H3,(H,14,15)
InChIKeyJRJAZFGXSZGRGL-UHFFFAOYSA-N
XLogP1.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 71219030
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 11370950
[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086202
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43463223
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58087209) is (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3ncccc23)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is JRJAZFGXSZGRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-6-11(17(2)16-8)12(18)10-7-15-13-9(10)4-3-5-14-13/h3-7H,1-2H3,(H,14,15).
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 240.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58087209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).