2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone

C27H29F3N4O2 — CID 77263744

IUPAC2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CC(C)N1CC(=O)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C27H29F3N4O2/c1-18-14-33(25-9-8-22(13-31-25)27(28,29)30)15-19(2)34(18)17-26(35)32-11-10-21-12-23(36-24(21)16-32)20-6-4-3-5-7-20/h3-9,12-13,18-19H,10-11,14-17H2,1-2H3
InChIKeyBRXANFIZPYRYKQ-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.84
Rot. Bonds4

About 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone

2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone (PubChem CID 77263744) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
PubChem CID77263744
Molecular FormulaC27H29F3N4O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
SMILESCC1CN(c2ccc(C(F)(F)F)cn2)CC(C)N1CC(=O)N1CCc2cc(-c3ccccc3)oc2C1
InChIInChI=1S/C27H29F3N4O2/c1-18-14-33(25-9-8-22(13-31-25)27(28,29)30)15-19(2)34(18)17-26(35)32-11-10-21-12-23(36-24(21)16-32)20-6-4-3-5-7-20/h3-9,12-13,18-19H,10-11,14-17H2,1-2H3
InChIKeyBRXANFIZPYRYKQ-UHFFFAOYSA-N
XLogP4.84
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone with MolForge

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Related Compounds

(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658205
MS 28
CID 195216
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-2-yl-amide
CID 10339454
(S)-6-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-2-(4-(trifluoromethyl)phenyl)furo[2,3-d]pyridazin-7(6H)-one
CID 11612491
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(1'-methyl-7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658248
4-[5-(1-benzofuran-2-carbonylamino)-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917419
4-[5-[[3-(fluoromethyl)-1-benzofuran-2-carbonyl]amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917492
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917631
4-[5-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917633
4-[5-[[3-(difluoromethyl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 67035798
3-[2-[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202397

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone?
The IUPAC name of 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone (CID 77263744) is 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone?
The canonical SMILES for 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone is CC1CN(c2ccc(C(F)(F)F)cn2)CC(C)N1CC(=O)N1CCc2cc(-c3ccccc3)oc2C1.
What is the InChIKey of 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone?
The InChIKey is BRXANFIZPYRYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-18-14-33(25-9-8-22(13-31-25)27(28,29)30)15-19(2)34(18)17-26(35)32-11-10-21-12-23(36-24(21)16-32)20-6-4-3-5-7-20/h3-9,12-13,18-19H,10-11,14-17H2,1-2H3.
What are the key properties of 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone?
2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone has a molecular weight of 498.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 77263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).