2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one

C22H17FN6O2 — CID 56591446

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1[C@@H]1CC[C@@H](O)c2ccccc21
InChIInChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
InChIKeyIZUPCXUREZVCCM-SJLPKXTDSA-N
MW416.42 g/mol
LogP2.99
Rot. Bonds2

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one (PubChem CID 56591446) has the molecular formula C22H17FN6O2 and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one
PubChem CID56591446
Molecular FormulaC22H17FN6O2
Molecular Weight416.42 g/mol
Exact Mass416.14
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1[C@@H]1CC[C@@H](O)c2ccccc21
InChIInChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
InChIKeyIZUPCXUREZVCCM-SJLPKXTDSA-N
XLogP2.99
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one (CID 56591446) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one is O=c1[nH]c2cnc(-c3cnc4ccc(F)cn34)nc2n1[C@@H]1CC[C@@H](O)c2ccccc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one?
The InChIKey is IZUPCXUREZVCCM-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one has a molecular weight of 416.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one is sourced from PubChem (CID 56591446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).