2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one

C22H20FN7O2 — CID 66614319

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one
SMILESCC(C)Oc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C22H20FN7O2/c1-12(2)32-21-17-19(27-22(31)29(17)3)25-18(26-21)16-14-8-6-10-24-20(14)30(28-16)11-13-7-4-5-9-15(13)23/h4-10,12H,11H2,1-3H3,(H,25,26,27,31)
InChIKeyRGXVYRHBHCQYDZ-UHFFFAOYSA-N
MW433.45 g/mol
LogP3.04
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one (PubChem CID 66614319) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one
PubChem CID66614319
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one
SMILESCC(C)Oc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C22H20FN7O2/c1-12(2)32-21-17-19(27-22(31)29(17)3)25-18(26-21)16-14-8-6-10-24-20(14)30(28-16)11-13-7-4-5-9-15(13)23/h4-10,12H,11H2,1-3H3,(H,25,26,27,31)
InChIKeyRGXVYRHBHCQYDZ-UHFFFAOYSA-N
XLogP3.04
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one (CID 66614319) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one is CC(C)Oc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)n(C)c12.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one?
The InChIKey is RGXVYRHBHCQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-12(2)32-21-17-19(27-22(31)29(17)3)25-18(26-21)16-14-8-6-10-24-20(14)30(28-16)11-13-7-4-5-9-15(13)23/h4-10,12H,11H2,1-3H3,(H,25,26,27,31).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one has a molecular weight of 433.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-6-propan-2-yloxy-9H-purin-8-one is sourced from PubChem (CID 66614319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).