6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one

C21H21F3N4O3 — CID 58467384

IUPAC6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)CNc2cnc3c(c2)OC(=O)C3)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O3/c1-13-12-27(6-7-28(13)16-4-2-14(3-5-16)21(22,23)24)19(29)11-25-15-8-18-17(26-10-15)9-20(30)31-18/h2-5,8,10,13,25H,6-7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyYTZUADQSJOHQJR-CYBMUJFWSA-N
MW434.42 g/mol
LogP2.71
Rot. Bonds4

About 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one

6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 58467384) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
PubChem CID58467384
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)CNc2cnc3c(c2)OC(=O)C3)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O3/c1-13-12-27(6-7-28(13)16-4-2-14(3-5-16)21(22,23)24)19(29)11-25-15-8-18-17(26-10-15)9-20(30)31-18/h2-5,8,10,13,25H,6-7,9,11-12H2,1H3/t13-/m1/s1
InChIKeyYTZUADQSJOHQJR-CYBMUJFWSA-N
XLogP2.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one with MolForge

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Related Compounds

6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 58467795
tert-butyl 3-methyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 59793643
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3830556
tert-butyl (3S)-3-methyl-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]piperazine-1-carboxylate
CID 124559663
[(3R)-3-methyl-4-(6-nitroso-3-pyridinyl)piperazin-1-yl]-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 139424916
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110
1-[(3S)-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-methylpiperazin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 70802611
N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
CID 58350640
tert-butyl (3R)-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 156760411
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The IUPAC name of 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one (CID 58467384) is 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one is C[C@@H]1CN(C(=O)CNc2cnc3c(c2)OC(=O)C3)CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
The InChIKey is YTZUADQSJOHQJR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-13-12-27(6-7-28(13)16-4-2-14(3-5-16)21(22,23)24)19(29)11-25-15-8-18-17(26-10-15)9-20(30)31-18/h2-5,8,10,13,25H,6-7,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one?
6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 434.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(3R)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 58467384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).