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

C23H14BrF2N5 — CID 59513889

IUPAC4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(F)c(-c3c(-c4cccc(Br)c4)nn4ccccc34)n2)c1
InChIInChI=1S/C23H14BrF2N5/c24-15-6-3-5-14(11-15)21-20(19-9-1-2-10-31(19)30-21)22-18(26)13-27-23(29-22)28-17-8-4-7-16(25)12-17/h1-13H,(H,27,28,29)
InChIKeySLDFJKKUHJRWQP-UHFFFAOYSA-N
MW478.30 g/mol
LogP6.24
Rot. Bonds4

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

4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine (PubChem CID 59513889) has the molecular formula C23H14BrF2N5 and a molecular weight of 478.30 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
PubChem CID59513889
Molecular FormulaC23H14BrF2N5
Molecular Weight478.30 g/mol
Exact Mass477.04
IUPAC Name4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine
SMILESFc1cccc(Nc2ncc(F)c(-c3c(-c4cccc(Br)c4)nn4ccccc34)n2)c1
InChIInChI=1S/C23H14BrF2N5/c24-15-6-3-5-14(11-15)21-20(19-9-1-2-10-31(19)30-21)22-18(26)13-27-23(29-22)28-17-8-4-7-16(25)12-17/h1-13H,(H,27,28,29)
InChIKeySLDFJKKUHJRWQP-UHFFFAOYSA-N
XLogP6.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.30
LogP ≤ 56.24
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)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine (CID 59513889) is 4-[2-(3-bromophenyl)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)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine is Fc1cccc(Nc2ncc(F)c(-c3c(-c4cccc(Br)c4)nn4ccccc34)n2)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
The InChIKey is SLDFJKKUHJRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrF2N5/c24-15-6-3-5-14(11-15)21-20(19-9-1-2-10-31(19)30-21)22-18(26)13-27-23(29-22)28-17-8-4-7-16(25)12-17/h1-13H,(H,27,28,29).
What are the key properties of 4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine?
4-[2-(3-bromophenyl)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine has a molecular weight of 478.30 g/mol, XLogP of 6.24, 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)pyrazolo[1,5-a]pyridin-3-yl]-5-fluoro-N-(3-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59513889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).