N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline

C26H23F2N7O — CID 166923195

IUPACN-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(F)c3F)nc2-c2ccc3ncc(OCCN)nc3c2)n1
InChIInChI=1S/C26H23F2N7O/c1-15-4-2-7-20(32-15)26-25(34-22(35-26)13-30-19-6-3-5-17(27)24(19)28)16-8-9-18-21(12-16)33-23(14-31-18)36-11-10-29/h2-9,12,14,30H,10-11,13,29H2,1H3,(H,34,35)
InChIKeyYHLFVNPMESWXSH-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.62
Rot. Bonds8

About N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline

N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline (PubChem CID 166923195) has the molecular formula C26H23F2N7O and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
PubChem CID166923195
Molecular FormulaC26H23F2N7O
Molecular Weight487.51 g/mol
Exact Mass487.19
IUPAC NameN-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(F)c3F)nc2-c2ccc3ncc(OCCN)nc3c2)n1
InChIInChI=1S/C26H23F2N7O/c1-15-4-2-7-20(32-15)26-25(34-22(35-26)13-30-19-6-3-5-17(27)24(19)28)16-8-9-18-21(12-16)33-23(14-31-18)36-11-10-29/h2-9,12,14,30H,10-11,13,29H2,1H3,(H,34,35)
InChIKeyYHLFVNPMESWXSH-UHFFFAOYSA-N
XLogP4.62
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
CID 166923207
N-[[4-[3-[(2S)-1-aminopropan-2-yl]oxyquinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-fluoroaniline
CID 166923394
N-[[4-[3-[2-(2-aminoethoxy)ethoxy]quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
CID 166923542
methyl 5-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]-2-fluorobenzoate
CID 166923615
3-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]-2-fluorobenzoic acid
CID 166923130
N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
CID 166923417
N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
CID 166923603
5-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-[6-(difluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl]methylamino]-2-fluorobenzamide
CID 166923672
1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one
CID 166923595
methyl 5-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]-2-fluorobenzoate
CID 166923133
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766013
2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
CID 44546006

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?
The IUPAC name of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline (CID 166923195) is N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?
The canonical SMILES for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline is Cc1cccc(-c2[nH]c(CNc3cccc(F)c3F)nc2-c2ccc3ncc(OCCN)nc3c2)n1.
What is the InChIKey of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?
The InChIKey is YHLFVNPMESWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O/c1-15-4-2-7-20(32-15)26-25(34-22(35-26)13-30-19-6-3-5-17(27)24(19)28)16-8-9-18-21(12-16)33-23(14-31-18)36-11-10-29/h2-9,12,14,30H,10-11,13,29H2,1H3,(H,34,35).
What are the key properties of N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?
N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline has a molecular weight of 487.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline is sourced from PubChem (CID 166923195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).