2-imidazol-1-yl-8-pyridin-4-yl-7H-purine

C13H9N7 — CID 10378055

IUPAC2-imidazol-1-yl-8-pyridin-4-yl-7H-purine
SMILESc1cc(-c2nc3nc(-n4ccnc4)ncc3[nH]2)ccn1
InChIInChI=1S/C13H9N7/c1-3-14-4-2-9(1)11-17-10-7-16-13(19-12(10)18-11)20-6-5-15-8-20/h1-8H,(H,16,17,18,19)
InChIKeyTVYKCNZQPCWBHS-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.60
Rot. Bonds2

About 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine

2-imidazol-1-yl-8-pyridin-4-yl-7H-purine (PubChem CID 10378055) has the molecular formula C13H9N7 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine.

Molecular Properties

Compound Name2-imidazol-1-yl-8-pyridin-4-yl-7H-purine
PubChem CID10378055
Molecular FormulaC13H9N7
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name2-imidazol-1-yl-8-pyridin-4-yl-7H-purine
SMILESc1cc(-c2nc3nc(-n4ccnc4)ncc3[nH]2)ccn1
InChIInChI=1S/C13H9N7/c1-3-14-4-2-9(1)11-17-10-7-16-13(19-12(10)18-11)20-6-5-15-8-20/h1-8H,(H,16,17,18,19)
InChIKeyTVYKCNZQPCWBHS-UHFFFAOYSA-N
XLogP1.60
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine?
The IUPAC name of 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine (CID 10378055) is 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine.
What is the SMILES notation for 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine?
The canonical SMILES for 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine is c1cc(-c2nc3nc(-n4ccnc4)ncc3[nH]2)ccn1.
What is the InChIKey of 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine?
The InChIKey is TVYKCNZQPCWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7/c1-3-14-4-2-9(1)11-17-10-7-16-13(19-12(10)18-11)20-6-5-15-8-20/h1-8H,(H,16,17,18,19).
What are the key properties of 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine?
2-imidazol-1-yl-8-pyridin-4-yl-7H-purine has a molecular weight of 263.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-8-pyridin-4-yl-7H-purine is sourced from PubChem (CID 10378055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).