2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C27H26F2N4O — CID 17411416

IUPAC2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc(=O)n2c1
InChIInChI=1S/C27H26F2N4O/c1-19-2-11-25-30-24(16-26(34)33(25)17-19)18-31-12-14-32(15-13-31)27(20-3-7-22(28)8-4-20)21-5-9-23(29)10-6-21/h2-11,16-17,27H,12-15,18H2,1H3
InChIKeyPDDKATRYGNYDNX-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.19
Rot. Bonds5

About 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 17411416) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID17411416
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc(=O)n2c1
InChIInChI=1S/C27H26F2N4O/c1-19-2-11-25-30-24(16-26(34)33(25)17-19)18-31-12-14-32(15-13-31)27(20-3-7-22(28)8-4-20)21-5-9-23(29)10-6-21/h2-11,16-17,27H,12-15,18H2,1H3
InChIKeyPDDKATRYGNYDNX-UHFFFAOYSA-N
XLogP4.19
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

Seganserin
CID 71767
3-[5-(4-Benzylpiperazin-1-yl)pentyl]-6-phenylpyrimidin-4-one
CID 134131151
US10829487, Example I-10
CID 138750568
US10829487, Example I-8
CID 138750765
US10829487, Example I-29
CID 138750774
US10829487, Example I-9
CID 138750777
US10829487, Example I-116
CID 138750798
US10829487, Example I-30
CID 138750996
US10829487, Example I-27
CID 138751004
US10829487, Example I-114
CID 138751120
US10829487, Example I-128
CID 138751151
2-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 16334275

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 17411416) is 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc(=O)n2c1.
What is the InChIKey of 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PDDKATRYGNYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-19-2-11-25-30-24(16-26(34)33(25)17-19)18-31-12-14-32(15-13-31)27(20-3-7-22(28)8-4-20)21-5-9-23(29)10-6-21/h2-11,16-17,27H,12-15,18H2,1H3.
What are the key properties of 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 460.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17411416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).