5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C28H23BrFN7 — CID 70303352

IUPAC5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H23BrFN7/c29-20-3-1-2-18(14-20)23-15-24(35-28-26(23)27(31)33-17-34-28)19-4-9-25(32-16-19)37-12-10-36(11-13-37)22-7-5-21(30)6-8-22/h1-9,14-17H,10-13H2,(H2,31,33,34,35)
InChIKeyYNRNKXCHWWWCAZ-UHFFFAOYSA-N
MW556.44 g/mol
LogP5.56
Rot. Bonds4

About 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70303352) has the molecular formula C28H23BrFN7 and a molecular weight of 556.44 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID70303352
Molecular FormulaC28H23BrFN7
Molecular Weight556.44 g/mol
Exact Mass555.12
IUPAC Name5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H23BrFN7/c29-20-3-1-2-18(14-20)23-15-24(35-28-26(23)27(31)33-17-34-28)19-4-9-25(32-16-19)37-12-10-36(11-13-37)22-7-5-21(30)6-8-22/h1-9,14-17H,10-13H2,(H2,31,33,34,35)
InChIKeyYNRNKXCHWWWCAZ-UHFFFAOYSA-N
XLogP5.56
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 70303352) is 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is YNRNKXCHWWWCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrFN7/c29-20-3-1-2-18(14-20)23-15-24(35-28-26(23)27(31)33-17-34-28)19-4-9-25(32-16-19)37-12-10-36(11-13-37)22-7-5-21(30)6-8-22/h1-9,14-17H,10-13H2,(H2,31,33,34,35).
What are the key properties of 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 556.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70303352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).