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

C20H16FN7O2 — CID 66614333

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one
SMILESCOc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C20H16FN7O2/c1-27-15-17(25-20(27)29)23-16(24-19(15)30-2)14-12-7-5-9-22-18(12)28(26-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H,23,24,25,29)
InChIKeyRVKIVMWJJVIWFF-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.26
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one (PubChem CID 66614333) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one
PubChem CID66614333
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one
SMILESCOc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C20H16FN7O2/c1-27-15-17(25-20(27)29)23-16(24-19(15)30-2)14-12-7-5-9-22-18(12)28(26-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H,23,24,25,29)
InChIKeyRVKIVMWJJVIWFF-UHFFFAOYSA-N
XLogP2.26
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.26
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]-6-methoxy-7-methyl-9H-purin-8-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one (CID 66614333) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one is COc1nc(-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]-6-methoxy-7-methyl-9H-purin-8-one?
The InChIKey is RVKIVMWJJVIWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-27-15-17(25-20(27)29)23-16(24-19(15)30-2)14-12-7-5-9-22-18(12)28(26-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H,23,24,25,29).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methoxy-7-methyl-9H-purin-8-one has a molecular weight of 405.39 g/mol, XLogP of 2.26, 4 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]-6-methoxy-7-methyl-9H-purin-8-one is sourced from PubChem (CID 66614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).