6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine

C18H13N7S — CID 70922613

IUPAC6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine
SMILESc1ccc(-n2c(CSc3ncnc4nc[nH]c34)nc3ncccc32)cc1
InChIInChI=1S/C18H13N7S/c1-2-5-12(6-3-1)25-13-7-4-8-19-16(13)24-14(25)9-26-18-15-17(21-10-20-15)22-11-23-18/h1-8,10-11H,9H2,(H,20,21,22,23)
InChIKeyPFBPFZQCTPJICH-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.38
Rot. Bonds4

About 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine

6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine (PubChem CID 70922613) has the molecular formula C18H13N7S and a molecular weight of 359.42 g/mol. Its IUPAC name is 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine.

Molecular Properties

Compound Name6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine
PubChem CID70922613
Molecular FormulaC18H13N7S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine
SMILESc1ccc(-n2c(CSc3ncnc4nc[nH]c34)nc3ncccc32)cc1
InChIInChI=1S/C18H13N7S/c1-2-5-12(6-3-1)25-13-7-4-8-19-16(13)24-14(25)9-26-18-15-17(21-10-20-15)22-11-23-18/h1-8,10-11H,9H2,(H,20,21,22,23)
InChIKeyPFBPFZQCTPJICH-UHFFFAOYSA-N
XLogP3.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine?
The IUPAC name of 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine (CID 70922613) is 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine.
What is the SMILES notation for 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine?
The canonical SMILES for 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine is c1ccc(-n2c(CSc3ncnc4nc[nH]c34)nc3ncccc32)cc1.
What is the InChIKey of 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine?
The InChIKey is PFBPFZQCTPJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7S/c1-2-5-12(6-3-1)25-13-7-4-8-19-16(13)24-14(25)9-26-18-15-17(21-10-20-15)22-11-23-18/h1-8,10-11H,9H2,(H,20,21,22,23).
What are the key properties of 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine?
6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine has a molecular weight of 359.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-7H-purine is sourced from PubChem (CID 70922613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).