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

C19H16N4O — CID 71219030

IUPAC(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4ccccc4)cc23)n(C)n1
InChIInChI=1S/C19H16N4O/c1-12-8-17(23(2)22-12)18(24)16-11-21-19-15(16)9-14(10-20-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21)
InChIKeyCDFAQIOSYHIXGX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.50
Rot. Bonds3

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

(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 71219030) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID71219030
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1cc(C(=O)c2c[nH]c3ncc(-c4ccccc4)cc23)n(C)n1
InChIInChI=1S/C19H16N4O/c1-12-8-17(23(2)22-12)18(24)16-11-21-19-15(16)9-14(10-20-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21)
InChIKeyCDFAQIOSYHIXGX-UHFFFAOYSA-N
XLogP3.50
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 71219030) is (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1cc(C(=O)c2c[nH]c3ncc(-c4ccccc4)cc23)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is CDFAQIOSYHIXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-8-17(23(2)22-12)18(24)16-11-21-19-15(16)9-14(10-20-19)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2,5-dimethylpyrazol-3-yl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 3.50, 3 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)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 71219030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).