4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine

C24H14BrF4N5 — CID 59513856

IUPAC4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2nccc(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C24H14BrF4N5/c25-16-4-1-3-14(11-16)22-21(20-8-7-15(24(27,28)29)13-34(20)33-22)19-9-10-30-23(32-19)31-18-6-2-5-17(26)12-18/h1-13H,(H,30,31,32)
InChIKeyAUQIKNAJLFDHMI-UHFFFAOYSA-N
MW528.31 g/mol
LogP7.12
Rot. Bonds4

About 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine

4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine (PubChem CID 59513856) has the molecular formula C24H14BrF4N5 and a molecular weight of 528.31 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine
PubChem CID59513856
Molecular FormulaC24H14BrF4N5
Molecular Weight528.31 g/mol
Exact Mass527.04
IUPAC Name4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2nccc(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C24H14BrF4N5/c25-16-4-1-3-14(11-16)22-21(20-8-7-15(24(27,28)29)13-34(20)33-22)19-9-10-30-23(32-19)31-18-6-2-5-17(26)12-18/h1-13H,(H,30,31,32)
InChIKeyAUQIKNAJLFDHMI-UHFFFAOYSA-N
XLogP7.12
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.31
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine (CID 59513856) is 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine is Fc1cccc(Nc2nccc(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine?
The InChIKey is AUQIKNAJLFDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrF4N5/c25-16-4-1-3-14(11-16)22-21(20-8-7-15(24(27,28)29)13-34(20)33-22)19-9-10-30-23(32-19)31-18-6-2-5-17(26)12-18/h1-13H,(H,30,31,32).
What are the key properties of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine?
4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine has a molecular weight of 528.31 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59513856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).