2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C24H18FN7O — CID 121271673

IUPAC2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2c(F)cnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H18FN7O/c1-15-10-16(4-6-27-15)23-18-5-9-32(24(18)30-12-19(23)25)14-22(33)31-21-3-2-17(11-29-21)20-13-26-7-8-28-20/h2-13H,14H2,1H3,(H,29,31,33)
InChIKeyNCYOCYHHOAVAGN-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.04
Rot. Bonds5

About 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121271673) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121271673
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC Name2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2c(F)cnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1
InChIInChI=1S/C24H18FN7O/c1-15-10-16(4-6-27-15)23-18-5-9-32(24(18)30-12-19(23)25)14-22(33)31-21-3-2-17(11-29-21)20-13-26-7-8-28-20/h2-13H,14H2,1H3,(H,29,31,33)
InChIKeyNCYOCYHHOAVAGN-UHFFFAOYSA-N
XLogP4.04
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121271673) is 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2c(F)cnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)ccn1.
What is the InChIKey of 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is NCYOCYHHOAVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c1-15-10-16(4-6-27-15)23-18-5-9-32(24(18)30-12-19(23)25)14-22(33)31-21-3-2-17(11-29-21)20-13-26-7-8-28-20/h2-13H,14H2,1H3,(H,29,31,33).
What are the key properties of 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 439.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121271673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).