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

C20H15FN8O — CID 66614104

IUPAC4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one
SMILESCc1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]c1=O
InChIInChI=1S/C20H15FN8O/c1-10-20(30)27-18-15(24-10)16(22)25-17(26-18)14-12-6-4-8-23-19(12)29(28-14)9-11-5-2-3-7-13(11)21/h2-8H,9H2,1H3,(H3,22,25,26,27,30)
InChIKeyWYCKEIUNESTYEJ-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.20
Rot. Bonds3

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

4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one (PubChem CID 66614104) has the molecular formula C20H15FN8O and a molecular weight of 402.39 g/mol. Its IUPAC name is 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one.

Molecular Properties

Compound Name4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one
PubChem CID66614104
Molecular FormulaC20H15FN8O
Molecular Weight402.39 g/mol
Exact Mass402.14
IUPAC Name4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one
SMILESCc1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]c1=O
InChIInChI=1S/C20H15FN8O/c1-10-20(30)27-18-15(24-10)16(22)25-17(26-18)14-12-6-4-8-23-19(12)29(28-14)9-11-5-2-3-7-13(11)21/h2-8H,9H2,1H3,(H3,22,25,26,27,30)
InChIKeyWYCKEIUNESTYEJ-UHFFFAOYSA-N
XLogP2.20
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one?
The IUPAC name of 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one (CID 66614104) is 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one.
What is the SMILES notation for 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one?
The canonical SMILES for 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one is Cc1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]c1=O.
What is the InChIKey of 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one?
The InChIKey is WYCKEIUNESTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN8O/c1-10-20(30)27-18-15(24-10)16(22)25-17(26-18)14-12-6-4-8-23-19(12)29(28-14)9-11-5-2-3-7-13(11)21/h2-8H,9H2,1H3,(H3,22,25,26,27,30).
What are the key properties of 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one?
4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one has a molecular weight of 402.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-methyl-8H-pteridin-7-one is sourced from PubChem (CID 66614104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).