4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one

C27H26F2N4O — CID 153384386

IUPAC4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one
SMILESCc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)cc(=O)n2C
InChIInChI=1S/C27H26F2N4O/c1-18-3-12-23-26(30-18)24(17-25(34)31(23)2)32-13-15-33(16-14-32)27(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h3-12,17,27H,13-16H2,1-2H3
InChIKeySTXZBAJBYKMQGC-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.43
Rot. Bonds4

About 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one

4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one (PubChem CID 153384386) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one
PubChem CID153384386
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one
SMILESCc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)cc(=O)n2C
InChIInChI=1S/C27H26F2N4O/c1-18-3-12-23-26(30-18)24(17-25(34)31(23)2)32-13-15-33(16-14-32)27(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h3-12,17,27H,13-16H2,1-2H3
InChIKeySTXZBAJBYKMQGC-UHFFFAOYSA-N
XLogP4.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one?
The IUPAC name of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one (CID 153384386) is 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one?
The canonical SMILES for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one is Cc1ccc2c(n1)c(N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)cc(=O)n2C.
What is the InChIKey of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one?
The InChIKey is STXZBAJBYKMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-18-3-12-23-26(30-18)24(17-25(34)31(23)2)32-13-15-33(16-14-32)27(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h3-12,17,27H,13-16H2,1-2H3.
What are the key properties of 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one?
4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one has a molecular weight of 460.53 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,6-dimethyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 153384386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).