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

C25H25F3N4O2 — CID 53244306

IUPAC1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC=C(c2cccc3ccoc23)CC1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)20-4-5-22(29-16-20)31-13-11-30(12-14-31)17-23(33)32-9-6-18(7-10-32)21-3-1-2-19-8-15-34-24(19)21/h1-6,8,15-16H,7,9-14,17H2
InChIKeyMQBWQDWYTDGURN-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.28
Rot. Bonds4

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

1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 53244306) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID53244306
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC=C(c2cccc3ccoc23)CC1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)20-4-5-22(29-16-20)31-13-11-30(12-14-31)17-23(33)32-9-6-18(7-10-32)21-3-1-2-19-8-15-34-24(19)21/h1-6,8,15-16H,7,9-14,17H2
InChIKeyMQBWQDWYTDGURN-UHFFFAOYSA-N
XLogP4.28
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Afn-1252
CID 10407120
Padnarsertib
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Afabicin
CID 72696796
N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
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N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
(E)-N-Methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
CID 16659988
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 16660305
(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
(E)-N-Methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
CID 45487682
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 53244306) is 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CC=C(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is MQBWQDWYTDGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c26-25(27,28)20-4-5-22(29-16-20)31-13-11-30(12-14-31)17-23(33)32-9-6-18(7-10-32)21-3-1-2-19-8-15-34-24(19)21/h1-6,8,15-16H,7,9-14,17H2.
What are the key properties of 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 470.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53244306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).