[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone

C26H29ClF3N5O2 — CID 163946399

IUPAC[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone
SMILESCNC(=CC1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H29ClF3N5O2/c1-32-22(17-2-4-18(5-3-17)25(36)34-10-12-37-13-11-34)15-23-24(31)33-8-9-35(23)16-19-14-20(27)6-7-21(19)26(28,29)30/h2-7,14-15,32-33H,8-13,16,31H2,1H3
InChIKeyNJYDKJWIIPWXIT-UHFFFAOYSA-N
MW536.00 g/mol
LogP3.62
Rot. Bonds6

About [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone

[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 163946399) has the molecular formula C26H29ClF3N5O2 and a molecular weight of 536.00 g/mol. Its IUPAC name is [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone
PubChem CID163946399
Molecular FormulaC26H29ClF3N5O2
Molecular Weight536.00 g/mol
Exact Mass535.20
IUPAC Name[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone
SMILESCNC(=CC1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H29ClF3N5O2/c1-32-22(17-2-4-18(5-3-17)25(36)34-10-12-37-13-11-34)15-23-24(31)33-8-9-35(23)16-19-14-20(27)6-7-21(19)26(28,29)30/h2-7,14-15,32-33H,8-13,16,31H2,1H3
InChIKeyNJYDKJWIIPWXIT-UHFFFAOYSA-N
XLogP3.62
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.00
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(Z)-2-amino-3-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 122447835
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58327946
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 58327791
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 76884317
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(2,2-diphenylethyl)benzamide
CID 58327922
3-bromo-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazine
CID 86659426
[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate
CID 154274165
[4-[5-[(2,5-dichlorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 121478283
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 71158125

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone (CID 163946399) is [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone is CNC(=CC1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NJYDKJWIIPWXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N5O2/c1-32-22(17-2-4-18(5-3-17)25(36)34-10-12-37-13-11-34)15-23-24(31)33-8-9-35(23)16-19-14-20(27)6-7-21(19)26(28,29)30/h2-7,14-15,32-33H,8-13,16,31H2,1H3.
What are the key properties of [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone?
[4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 536.00 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-amino-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-5-yl]-1-(methylamino)ethenyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163946399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).