7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine

C20H21F3N4 — CID 91214553

IUPAC7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine
SMILESCC1Cc2nccc(C(F)(F)F)c2C(c2cccc(N3CCNCC3)c2)=N1
InChIInChI=1S/C20H21F3N4/c1-13-11-17-18(16(5-6-25-17)20(21,22)23)19(26-13)14-3-2-4-15(12-14)27-9-7-24-8-10-27/h2-6,12-13,24H,7-11H2,1H3
InChIKeySOAPTEQCDYTVBF-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.29
Rot. Bonds2

About 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine

7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine (PubChem CID 91214553) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine.

Molecular Properties

Compound Name7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine
PubChem CID91214553
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine
SMILESCC1Cc2nccc(C(F)(F)F)c2C(c2cccc(N3CCNCC3)c2)=N1
InChIInChI=1S/C20H21F3N4/c1-13-11-17-18(16(5-6-25-17)20(21,22)23)19(26-13)14-3-2-4-15(12-14)27-9-7-24-8-10-27/h2-6,12-13,24H,7-11H2,1H3
InChIKeySOAPTEQCDYTVBF-UHFFFAOYSA-N
XLogP3.29
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
6-fluoro-8-(3-piperazin-1-ylphenyl)quinoline;hydrochloride
CID 154914716
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 170694015
5-methyl-4-(3-piperazin-1-ylphenyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
CID 166108978
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658454
4-(2-piperazin-1-yl-4-pyridinyl)-8-(trifluoromethyl)quinoline;tetrahydrochloride
CID 171686354

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine?
The IUPAC name of 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine (CID 91214553) is 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine.
What is the SMILES notation for 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine?
The canonical SMILES for 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine is CC1Cc2nccc(C(F)(F)F)c2C(c2cccc(N3CCNCC3)c2)=N1.
What is the InChIKey of 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine?
The InChIKey is SOAPTEQCDYTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-13-11-17-18(16(5-6-25-17)20(21,22)23)19(26-13)14-3-2-4-15(12-14)27-9-7-24-8-10-27/h2-6,12-13,24H,7-11H2,1H3.
What are the key properties of 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine?
7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine has a molecular weight of 374.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(3-piperazin-1-ylphenyl)-4-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine is sourced from PubChem (CID 91214553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).