2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide

C24H19FN6O — CID 141370263

IUPAC2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21
InChIInChI=1S/C24H19FN6O/c1-13-8-20-15(4-3-7-27-20)9-18(13)14(2)31-12-29-23-24(31)30-21(11-28-23)16-5-6-17(22(26)32)19(25)10-16/h3-12,14H,1-2H3,(H2,26,32)
InChIKeyDONFIWAAXBRKAI-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.20
Rot. Bonds4

About 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide

2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 141370263) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID141370263
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21
InChIInChI=1S/C24H19FN6O/c1-13-8-20-15(4-3-7-27-20)9-18(13)14(2)31-12-29-23-24(31)30-21(11-28-23)16-5-6-17(22(26)32)19(25)10-16/h3-12,14H,1-2H3,(H2,26,32)
InChIKeyDONFIWAAXBRKAI-UHFFFAOYSA-N
XLogP4.20
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide?
The IUPAC name of 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide (CID 141370263) is 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide is Cc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3ccc(C(N)=O)c(F)c3)nc21.
What is the InChIKey of 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide?
The InChIKey is DONFIWAAXBRKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-13-8-20-15(4-3-7-27-20)9-18(13)14(2)31-12-29-23-24(31)30-21(11-28-23)16-5-6-17(22(26)32)19(25)10-16/h3-12,14H,1-2H3,(H2,26,32).
What are the key properties of 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide?
2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 426.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzamide is sourced from PubChem (CID 141370263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).