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

C24H13BrF5N5 — CID 59513693

IUPAC4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(F)c(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C24H13BrF5N5/c25-15-4-1-3-13(9-15)21-20(19-8-7-14(24(28,29)30)12-35(19)34-21)22-18(27)11-31-23(33-22)32-17-6-2-5-16(26)10-17/h1-12H,(H,31,32,33)
InChIKeyFYDYNBMMYSWZGW-UHFFFAOYSA-N
MW546.30 g/mol
LogP7.26
Rot. Bonds4

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

4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine (PubChem CID 59513693) has the molecular formula C24H13BrF5N5 and a molecular weight of 546.30 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
PubChem CID59513693
Molecular FormulaC24H13BrF5N5
Molecular Weight546.30 g/mol
Exact Mass545.03
IUPAC Name4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(F)c(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1
InChIInChI=1S/C24H13BrF5N5/c25-15-4-1-3-13(9-15)21-20(19-8-7-14(24(28,29)30)12-35(19)34-21)22-18(27)11-31-23(33-22)32-17-6-2-5-16(26)10-17/h1-12H,(H,31,32,33)
InChIKeyFYDYNBMMYSWZGW-UHFFFAOYSA-N
XLogP7.26
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.30
LogP ≤ 57.26
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]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine (CID 59513693) is 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-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]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine is Fc1cccc(Nc2ncc(F)c(-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]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The InChIKey is FYDYNBMMYSWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrF5N5/c25-15-4-1-3-13(9-15)21-20(19-8-7-14(24(28,29)30)12-35(19)34-21)22-18(27)11-31-23(33-22)32-17-6-2-5-16(26)10-17/h1-12H,(H,31,32,33).
What are the key properties of 4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
4-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine has a molecular weight of 546.30 g/mol, XLogP of 7.26, 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]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59513693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).