[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

C27H23F3N4O — CID 42802388

IUPAC[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C27H23F3N4O/c1-18-15-24(32-25(31-18)21-7-4-8-23(17-21)27(28,29)30)33-11-13-34(14-12-33)26(35)22-10-9-19-5-2-3-6-20(19)16-22/h2-10,15-17H,11-14H2,1H3
InChIKeyBSTSPZDDTPCRAS-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.59
Rot. Bonds3

About [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 42802388) has the molecular formula C27H23F3N4O and a molecular weight of 476.50 g/mol. Its IUPAC name is [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID42802388
Molecular FormulaC27H23F3N4O
Molecular Weight476.50 g/mol
Exact Mass476.18
IUPAC Name[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C27H23F3N4O/c1-18-15-24(32-25(31-18)21-7-4-8-23(17-21)27(28,29)30)33-11-13-34(14-12-33)26(35)22-10-9-19-5-2-3-6-20(19)16-22/h2-10,15-17H,11-14H2,1H3
InChIKeyBSTSPZDDTPCRAS-UHFFFAOYSA-N
XLogP5.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 42666881
(3,4-dichlorophenyl)-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802674
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42666927
(2-methoxyphenyl)-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802624
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 27477571
[3,5-bis(trifluoromethyl)phenyl]-[4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42666888
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 42802864
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 42802499
(4-butylphenyl)-[4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802412

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (CID 42802388) is [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is BSTSPZDDTPCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O/c1-18-15-24(32-25(31-18)21-7-4-8-23(17-21)27(28,29)30)33-11-13-34(14-12-33)26(35)22-10-9-19-5-2-3-6-20(19)16-22/h2-10,15-17H,11-14H2,1H3.
What are the key properties of [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 476.50 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 42802388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).