2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide

C22H23N7O2 — CID 10070588

IUPAC2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1
InChIInChI=1S/C22H23N7O2/c1-15-11-27-21(25-9-6-18-4-2-3-7-23-18)22(31)29(15)14-19(30)26-12-16-10-17-5-8-24-20(17)28-13-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,24,28)(H,25,27)(H,26,30)
InChIKeyYQIXYJHDVUQRCS-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.79
Rot. Bonds8

About 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide

2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide (PubChem CID 10070588) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
PubChem CID10070588
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1
InChIInChI=1S/C22H23N7O2/c1-15-11-27-21(25-9-6-18-4-2-3-7-23-18)22(31)29(15)14-19(30)26-12-16-10-17-5-8-24-20(17)28-13-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,24,28)(H,25,27)(H,26,30)
InChIKeyYQIXYJHDVUQRCS-UHFFFAOYSA-N
XLogP1.79
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide (CID 10070588) is 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide is Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
The InChIKey is YQIXYJHDVUQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-15-11-27-21(25-9-6-18-4-2-3-7-23-18)22(31)29(15)14-19(30)26-12-16-10-17-5-8-24-20(17)28-13-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,24,28)(H,25,27)(H,26,30).
What are the key properties of 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide?
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide has a molecular weight of 417.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 10070588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).