[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C35H31F3N6O2S — CID 59210265

IUPAC[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2nccc3cnccc23)CC1
InChIInChI=1S/C35H31F3N6O2S/c36-35(37,38)26-7-5-23(6-8-26)27-3-1-2-4-29(27)33(45)43-15-11-24(12-16-43)32-41-30(22-47-32)34(46)44-19-17-42(18-20-44)31-28-10-13-39-21-25(28)9-14-40-31/h1-10,13-14,21-22,24H,11-12,15-20H2
InChIKeyZLXDECWYKGWVMP-UHFFFAOYSA-N
MW656.73 g/mol
LogP6.75
Rot. Bonds5

About [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 59210265) has the molecular formula C35H31F3N6O2S and a molecular weight of 656.73 g/mol. Its IUPAC name is [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID59210265
Molecular FormulaC35H31F3N6O2S
Molecular Weight656.73 g/mol
Exact Mass656.22
IUPAC Name[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2nccc3cnccc23)CC1
InChIInChI=1S/C35H31F3N6O2S/c36-35(37,38)26-7-5-23(6-8-26)27-3-1-2-4-29(27)33(45)43-15-11-24(12-16-43)32-41-30(22-47-32)34(46)44-19-17-42(18-20-44)31-28-10-13-39-21-25(28)9-14-40-31/h1-10,13-14,21-22,24H,11-12,15-20H2
InChIKeyZLXDECWYKGWVMP-UHFFFAOYSA-N
XLogP6.75
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.73
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 59210265) is [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2nccc3cnccc23)CC1.
What is the InChIKey of [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is ZLXDECWYKGWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F3N6O2S/c36-35(37,38)26-7-5-23(6-8-26)27-3-1-2-4-29(27)33(45)43-15-11-24(12-16-43)32-41-30(22-47-32)34(46)44-19-17-42(18-20-44)31-28-10-13-39-21-25(28)9-14-40-31/h1-10,13-14,21-22,24H,11-12,15-20H2.
What are the key properties of [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 656.73 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(2,6-naphthyridin-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 59210265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).