N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine

C39H32F2N16 — CID 70980096

IUPACN-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine
SMILESCC[C@@H](c1nc(N)c2[nH]cnc2n1)c1nc2cc(F)cnc2n1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cc(F)cnc2n1-c1ccccc1
InChIInChI=1S/C20H17FN8.C19H15FN8/c1-2-13(17-27-16(22)15-18(28-17)25-10-24-15)19-26-14-8-11(21)9-23-20(14)29(19)12-6-4-3-5-7-12;1-11(26-17-15-16(23-9-22-15)24-10-25-17)18-27-14-7-12(20)8-21-19(14)28(18)13-5-3-2-4-6-13/h3-10,13H,2H2,1H3,(H3,22,24,25,27,28);2-11H,1H3,(H2,22,23,24,25,26)/t13-;11-/m00/s1
InChIKeyOBPQQHMXJCQBGF-DMGMNCNXSA-N
MW762.79 g/mol
LogP6.75
Rot. Bonds8

About N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine

N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine (PubChem CID 70980096) has the molecular formula C39H32F2N16 and a molecular weight of 762.79 g/mol. Its IUPAC name is N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine
PubChem CID70980096
Molecular FormulaC39H32F2N16
Molecular Weight762.79 g/mol
Exact Mass762.30
IUPAC NameN-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine
SMILESCC[C@@H](c1nc(N)c2[nH]cnc2n1)c1nc2cc(F)cnc2n1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cc(F)cnc2n1-c1ccccc1
InChIInChI=1S/C20H17FN8.C19H15FN8/c1-2-13(17-27-16(22)15-18(28-17)25-10-24-15)19-26-14-8-11(21)9-23-20(14)29(19)12-6-4-3-5-7-12;1-11(26-17-15-16(23-9-22-15)24-10-25-17)18-27-14-7-12(20)8-21-19(14)28(18)13-5-3-2-4-6-13/h3-10,13H,2H2,1H3,(H3,22,24,25,27,28);2-11H,1H3,(H2,22,23,24,25,26)/t13-;11-/m00/s1
InChIKeyOBPQQHMXJCQBGF-DMGMNCNXSA-N
XLogP6.75
TPSA208.39 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.79
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine (CID 70980096) is N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine is CC[C@@H](c1nc(N)c2[nH]cnc2n1)c1nc2cc(F)cnc2n1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cc(F)cnc2n1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine?
The InChIKey is OBPQQHMXJCQBGF-DMGMNCNXSA-N. The full InChI is InChI=1S/C20H17FN8.C19H15FN8/c1-2-13(17-27-16(22)15-18(28-17)25-10-24-15)19-26-14-8-11(21)9-23-20(14)29(19)12-6-4-3-5-7-12;1-11(26-17-15-16(23-9-22-15)24-10-25-17)18-27-14-7-12(20)8-21-19(14)28(18)13-5-3-2-4-6-13/h3-10,13H,2H2,1H3,(H3,22,24,25,27,28);2-11H,1H3,(H2,22,23,24,25,26)/t13-;11-/m00/s1.
What are the key properties of N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine?
N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine has a molecular weight of 762.79 g/mol, XLogP of 6.75, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]-7H-purin-6-amine;2-[(1R)-1-(6-fluoro-3-phenylimidazo[4,5-b]pyridin-2-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 70980096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).