N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C26H19N7 — CID 11154615

IUPACN-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C26H19N7/c1-17-9-10-18(23-16-28-20-6-2-3-7-21(20)30-23)14-22(17)31-26-29-15-19-11-13-33(25(19)32-26)24-8-4-5-12-27-24/h2-16H,1H3,(H,29,31,32)
InChIKeyKVYYSUPOTZCZAO-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.48
Rot. Bonds4

About N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11154615) has the molecular formula C26H19N7 and a molecular weight of 429.49 g/mol. Its IUPAC name is N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11154615
Molecular FormulaC26H19N7
Molecular Weight429.49 g/mol
Exact Mass429.17
IUPAC NameN-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C26H19N7/c1-17-9-10-18(23-16-28-20-6-2-3-7-21(20)30-23)14-22(17)31-26-29-15-19-11-13-33(25(19)32-26)24-8-4-5-12-27-24/h2-16H,1H3,(H,29,31,32)
InChIKeyKVYYSUPOTZCZAO-UHFFFAOYSA-N
XLogP5.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11154615) is N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KVYYSUPOTZCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7/c1-17-9-10-18(23-16-28-20-6-2-3-7-21(20)30-23)14-22(17)31-26-29-15-19-11-13-33(25(19)32-26)24-8-4-5-12-27-24/h2-16H,1H3,(H,29,31,32).
What are the key properties of N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 429.49 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11154615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).