2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol

C24H23N5O2 — CID 134439804

IUPAC2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
SMILESCc1cccc(-c2nc3n(c2-c2ccc4ncc(OCCO)nc4c2)C2CCC3C2)n1
InChIInChI=1S/C24H23N5O2/c1-14-3-2-4-19(26-14)22-23(29-17-7-5-16(11-17)24(29)28-22)15-6-8-18-20(12-15)27-21(13-25-18)31-10-9-30/h2-4,6,8,12-13,16-17,30H,5,7,9-11H2,1H3
InChIKeyZIDVIPHDKCJQPJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.06
Rot. Bonds5

About 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol

2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol (PubChem CID 134439804) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
PubChem CID134439804
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol
SMILESCc1cccc(-c2nc3n(c2-c2ccc4ncc(OCCO)nc4c2)C2CCC3C2)n1
InChIInChI=1S/C24H23N5O2/c1-14-3-2-4-19(26-14)22-23(29-17-7-5-16(11-17)24(29)28-22)15-6-8-18-20(12-15)27-21(13-25-18)31-10-9-30/h2-4,6,8,12-13,16-17,30H,5,7,9-11H2,1H3
InChIKeyZIDVIPHDKCJQPJ-UHFFFAOYSA-N
XLogP4.06
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-4-(6-methyl-2-pyridinyl)-3-[2-(4-methylsulfinylphenyl)-4-pyridinyl]-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 134439691
(2S)-3-[[4-[(1R,7S)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 134439613
3-bromo-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;bis(4-(6-methyl-2-pyridinyl)-3-quinoxalin-6-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 157306403
1-[4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157103661
ethane;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine
CID 142321805
6-[2-cyclohexyl-3-ethyl-5-(6-methyl-2-pyridinyl)imidazol-4-yl]quinoxaline
CID 143498497
tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163882930
(2S)-1-[[4-[(1R)-4-(6-methyl-2-pyridinyl)-3,6-diazatricyclo[6.2.1.02,6]undeca-2,4-dien-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 146389765
N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
CID 166923195
N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
CID 166923207
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2-[[4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]-2-pyridinyl]amino]ethanol
CID 134439562

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol?
The IUPAC name of 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol (CID 134439804) is 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol.
What is the SMILES notation for 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol?
The canonical SMILES for 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol is Cc1cccc(-c2nc3n(c2-c2ccc4ncc(OCCO)nc4c2)C2CCC3C2)n1.
What is the InChIKey of 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol?
The InChIKey is ZIDVIPHDKCJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14-3-2-4-19(26-14)22-23(29-17-7-5-16(11-17)24(29)28-22)15-6-8-18-20(12-15)27-21(13-25-18)31-10-9-30/h2-4,6,8,12-13,16-17,30H,5,7,9-11H2,1H3.
What are the key properties of 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol?
2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol has a molecular weight of 413.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]quinoxalin-2-yl]oxyethanol is sourced from PubChem (CID 134439804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).