2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline

C25H23N5O — CID 123953664

IUPAC2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(C2=Cn3cncc3CN2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C25H23N5O/c1-31-22-7-4-6-19(11-22)24-16-29-17-26-12-20(29)15-30(24)21-13-28(14-21)25-10-9-18-5-2-3-8-23(18)27-25/h2-12,16-17,21H,13-15H2,1H3
InChIKeyBGAQFXYIKAUSCN-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.10
Rot. Bonds4

About 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline

2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline (PubChem CID 123953664) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline
PubChem CID123953664
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(C2=Cn3cncc3CN2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C25H23N5O/c1-31-22-7-4-6-19(11-22)24-16-29-17-26-12-20(29)15-30(24)21-13-28(14-21)25-10-9-18-5-2-3-8-23(18)27-25/h2-12,16-17,21H,13-15H2,1H3
InChIKeyBGAQFXYIKAUSCN-UHFFFAOYSA-N
XLogP4.10
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline with MolForge

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Related Compounds

2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547501
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547950
1-[5-(3-methoxyphenyl)-6-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]ethanone
CID 58547658
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
CID 163352569
2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
CID 58546982
methyl 3-[[(3aS,5R,6R,7aR)-6-hydroxy-2-quinolin-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172656625
N,N-diethyl-1-(7-methoxyquinolin-2-yl)pyrrolidin-3-amine
CID 166327735
4-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 177378766
3-bromo-2-(3-methoxyphenyl)quinoline
CID 71658570
2-ethenyl-3-(3-methoxyphenyl)quinoline
CID 68639681
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline (CID 123953664) is 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline is COc1cccc(C2=Cn3cncc3CN2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline?
The InChIKey is BGAQFXYIKAUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-31-22-7-4-6-19(11-22)24-16-29-17-26-12-20(29)15-30(24)21-13-28(14-21)25-10-9-18-5-2-3-8-23(18)27-25/h2-12,16-17,21H,13-15H2,1H3.
What are the key properties of 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline?
2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline has a molecular weight of 409.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-methoxyphenyl)-8H-imidazo[1,5-a]pyrazin-7-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 123953664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).