2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone

C19H16N4O — CID 158118668

IUPAC2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone
SMILESCc1ccc(-c2cc3cc(CC(=O)c4ccn[nH]4)cnc3[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-12-2-4-14(5-3-12)17-10-15-8-13(11-20-19(15)22-17)9-18(24)16-6-7-21-23-16/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWRQKOFDMPQQZLP-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.69
Rot. Bonds4

About 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone

2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone (PubChem CID 158118668) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone
PubChem CID158118668
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone
SMILESCc1ccc(-c2cc3cc(CC(=O)c4ccn[nH]4)cnc3[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-12-2-4-14(5-3-12)17-10-15-8-13(11-20-19(15)22-17)9-18(24)16-6-7-21-23-16/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyWRQKOFDMPQQZLP-UHFFFAOYSA-N
XLogP3.69
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone (CID 158118668) is 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone is Cc1ccc(-c2cc3cc(CC(=O)c4ccn[nH]4)cnc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone?
The InChIKey is WRQKOFDMPQQZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-2-4-14(5-3-12)17-10-15-8-13(11-20-19(15)22-17)9-18(24)16-6-7-21-23-16/h2-8,10-11H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone?
2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone has a molecular weight of 316.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 158118668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).