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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Related Compounds

CID 1973
CID 1973
CID 5328251
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CID 5328082
CID 5328082
CID 10005239
CID 10005239
CID 10435708
CID 10435708
CID 24745379
CID 24745379
CID 5328306
CID 5328306
CID 5328310
CID 5328310
CID 5328315
CID 5328315
CID 5328365
CID 5328365
CID 5328366
CID 5328366
CID 5328369
CID 5328369

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).