1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

C24H18FN5O — CID 23548202

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)cc1
InChIInChI=1S/C24H18FN5O/c1-31-19-10-8-16(9-11-19)18-13-27-23(28-14-18)22-20-6-4-12-26-24(20)30(29-22)15-17-5-2-3-7-21(17)25/h2-14H,15H2,1H3
InChIKeyAPCYPZNVBCLHLD-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.75
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine

1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 23548202) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID23548202
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)cc1
InChIInChI=1S/C24H18FN5O/c1-31-19-10-8-16(9-11-19)18-13-27-23(28-14-18)22-20-6-4-12-26-24(20)30(29-22)15-17-5-2-3-7-21(17)25/h2-14H,15H2,1H3
InChIKeyAPCYPZNVBCLHLD-UHFFFAOYSA-N
XLogP4.75
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine (CID 23548202) is 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is COc1ccc(-c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is APCYPZNVBCLHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-31-19-10-8-16(9-11-19)18-13-27-23(28-14-18)22-20-6-4-12-26-24(20)30(29-22)15-17-5-2-3-7-21(17)25/h2-14H,15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 411.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 23548202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).