1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone

C32H27ClF3N3O — CID 58327804

IUPAC1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESO=C(CC1Cc2ccccc2C1)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
InChIInChI=1S/C32H27ClF3N3O/c33-27-8-9-28(32(34,35)36)26(16-27)19-39-11-10-37-31-29(39)17-25(18-38-31)23-6-3-7-24(15-23)30(40)14-20-12-21-4-1-2-5-22(21)13-20/h1-9,15-18,20H,10-14,19H2,(H,37,38)
InChIKeyPLWANFVBOUELKL-UHFFFAOYSA-N
MW562.04 g/mol
LogP7.84
Rot. Bonds6

About 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone

1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 58327804) has the molecular formula C32H27ClF3N3O and a molecular weight of 562.04 g/mol. Its IUPAC name is 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
PubChem CID58327804
Molecular FormulaC32H27ClF3N3O
Molecular Weight562.04 g/mol
Exact Mass561.18
IUPAC Name1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
SMILESO=C(CC1Cc2ccccc2C1)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
InChIInChI=1S/C32H27ClF3N3O/c33-27-8-9-28(32(34,35)36)26(16-27)19-39-11-10-37-31-29(39)17-25(18-38-31)23-6-3-7-24(15-23)30(40)14-20-12-21-4-1-2-5-22(21)13-20/h1-9,15-18,20H,10-14,19H2,(H,37,38)
InChIKeyPLWANFVBOUELKL-UHFFFAOYSA-N
XLogP7.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.04
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone with MolForge

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Related Compounds

[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46871638
{1-[(5-Chloro-2-trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}piperidin-1-yl-methanone
CID 46906792
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 46906793
5-Chloro-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2,3-dihydroinden-1-one
CID 164614709
5-Chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
CID 164621610
5-Chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one
CID 164621627
6-Chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
CID 164627977
3-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 134276571
4-[4-(7-Chloroisoquinolin-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 13025583
9-[3-[[6-[(2,5-dichlorobenzoyl)amino]pyridin-3-yl]amino]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 18409304
[4-[1-[(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 57885802
4-[1-[(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 57885865

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The IUPAC name of 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone (CID 58327804) is 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone.
What is the SMILES notation for 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The canonical SMILES for 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone is O=C(CC1Cc2ccccc2C1)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1.
What is the InChIKey of 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
The InChIKey is PLWANFVBOUELKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClF3N3O/c33-27-8-9-28(32(34,35)36)26(16-27)19-39-11-10-37-31-29(39)17-25(18-38-31)23-6-3-7-24(15-23)30(40)14-20-12-21-4-1-2-5-22(21)13-20/h1-9,15-18,20H,10-14,19H2,(H,37,38).
What are the key properties of 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone?
1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 562.04 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 58327804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).