7-phenyl-9-pyridin-3-yl-8H-purine

C16H13N5 — CID 58556336

IUPAC7-phenyl-9-pyridin-3-yl-8H-purine
SMILESc1ccc(N2CN(c3cccnc3)c3ncncc32)cc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)20-12-21(14-7-4-8-17-9-14)16-15(20)10-18-11-19-16/h1-11H,12H2
InChIKeyBQGMASQHMSSSCQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.12
Rot. Bonds2

About 7-phenyl-9-pyridin-3-yl-8H-purine

7-phenyl-9-pyridin-3-yl-8H-purine (PubChem CID 58556336) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 7-phenyl-9-pyridin-3-yl-8H-purine.

Molecular Properties

Compound Name7-phenyl-9-pyridin-3-yl-8H-purine
PubChem CID58556336
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name7-phenyl-9-pyridin-3-yl-8H-purine
SMILESc1ccc(N2CN(c3cccnc3)c3ncncc32)cc1
InChIInChI=1S/C16H13N5/c1-2-5-13(6-3-1)20-12-21(14-7-4-8-17-9-14)16-15(20)10-18-11-19-16/h1-11H,12H2
InChIKeyBQGMASQHMSSSCQ-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
7-(2-methylphenyl)-9-phenyl-8H-purine
CID 58556269
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
6-ethyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
CID 140743696
3-(2-phenyl-4,5-dihydroimidazol-1-yl)pyridine
CID 71659870
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
1,3-bis(4-fluorophenyl)-2H-imidazo[4,5-b]pyridine
CID 140596008
3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
CID 174642432
4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine
CID 57013365
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazine
CID 172522404
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
CID 22639462

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-pyridin-3-yl-8H-purine?
The IUPAC name of 7-phenyl-9-pyridin-3-yl-8H-purine (CID 58556336) is 7-phenyl-9-pyridin-3-yl-8H-purine.
What is the SMILES notation for 7-phenyl-9-pyridin-3-yl-8H-purine?
The canonical SMILES for 7-phenyl-9-pyridin-3-yl-8H-purine is c1ccc(N2CN(c3cccnc3)c3ncncc32)cc1.
What is the InChIKey of 7-phenyl-9-pyridin-3-yl-8H-purine?
The InChIKey is BQGMASQHMSSSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-5-13(6-3-1)20-12-21(14-7-4-8-17-9-14)16-15(20)10-18-11-19-16/h1-11H,12H2.
What are the key properties of 7-phenyl-9-pyridin-3-yl-8H-purine?
7-phenyl-9-pyridin-3-yl-8H-purine has a molecular weight of 275.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-pyridin-3-yl-8H-purine is sourced from PubChem (CID 58556336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).