5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C28H32F2N8O — CID 118164377

IUPAC5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCN(c3nc(-c4cnc5ccc(F)cn45)nc(N[C@@H]4CCCNC4)c3F)CC2)cc1
InChIInChI=1S/C28H32F2N8O/c1-39-22-7-4-19(5-8-22)17-36-11-13-37(14-12-36)28-25(30)27(33-21-3-2-10-31-15-21)34-26(35-28)23-16-32-24-9-6-20(29)18-38(23)24/h4-9,16,18,21,31H,2-3,10-15,17H2,1H3,(H,33,34,35)/t21-/m1/s1
InChIKeySFAUBRFGGSDVRU-OAQYLSRUSA-N
MW534.62 g/mol
LogP3.56
Rot. Bonds7

About 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 118164377) has the molecular formula C28H32F2N8O and a molecular weight of 534.62 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID118164377
Molecular FormulaC28H32F2N8O
Molecular Weight534.62 g/mol
Exact Mass534.27
IUPAC Name5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1ccc(CN2CCN(c3nc(-c4cnc5ccc(F)cn45)nc(N[C@@H]4CCCNC4)c3F)CC2)cc1
InChIInChI=1S/C28H32F2N8O/c1-39-22-7-4-19(5-8-22)17-36-11-13-37(14-12-36)28-25(30)27(33-21-3-2-10-31-15-21)34-26(35-28)23-16-32-24-9-6-20(29)18-38(23)24/h4-9,16,18,21,31H,2-3,10-15,17H2,1H3,(H,33,34,35)/t21-/m1/s1
InChIKeySFAUBRFGGSDVRU-OAQYLSRUSA-N
XLogP3.56
TPSA82.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 118164377) is 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is COc1ccc(CN2CCN(c3nc(-c4cnc5ccc(F)cn45)nc(N[C@@H]4CCCNC4)c3F)CC2)cc1.
What is the InChIKey of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is SFAUBRFGGSDVRU-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H32F2N8O/c1-39-22-7-4-19(5-8-22)17-36-11-13-37(14-12-36)28-25(30)27(33-21-3-2-10-31-15-21)34-26(35-28)23-16-32-24-9-6-20(29)18-38(23)24/h4-9,16,18,21,31H,2-3,10-15,17H2,1H3,(H,33,34,35)/t21-/m1/s1.
What are the key properties of 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 534.62 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118164377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).