3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C31H24FN5O2 — CID 134307734

IUPAC3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(-c4ccccc4F)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H24FN5O2/c1-38-22-17-15-20(16-18-22)26-29(34-25-14-8-9-19-33-25)35-30-27(23-12-6-7-13-24(23)32)28(21-10-4-3-5-11-21)36-37(30)31(26)39-2/h3-19H,1-2H3,(H,33,34,35)
InChIKeyAPZWPTSEUGVQIM-UHFFFAOYSA-N
MW517.56 g/mol
LogP7.03
Rot. Bonds7

About 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134307734) has the molecular formula C31H24FN5O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134307734
Molecular FormulaC31H24FN5O2
Molecular Weight517.56 g/mol
Exact Mass517.19
IUPAC Name3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccccn3)nc3c(-c4ccccc4F)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C31H24FN5O2/c1-38-22-17-15-20(16-18-22)26-29(34-25-14-8-9-19-33-25)35-30-27(23-12-6-7-13-24(23)32)28(21-10-4-3-5-11-21)36-37(30)31(26)39-2/h3-19H,1-2H3,(H,33,34,35)
InChIKeyAPZWPTSEUGVQIM-UHFFFAOYSA-N
XLogP7.03
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 134307734) is 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccccn3)nc3c(-c4ccccc4F)c(-c4ccccc4)nn3c2OC)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is APZWPTSEUGVQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN5O2/c1-38-22-17-15-20(16-18-22)26-29(34-25-14-8-9-19-33-25)35-30-27(23-12-6-7-13-24(23)32)28(21-10-4-3-5-11-21)36-37(30)31(26)39-2/h3-19H,1-2H3,(H,33,34,35).
What are the key properties of 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 517.56 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134307734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).