4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide

C20H23N5O2 — CID 57392648

IUPAC4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-21-19(26)15-9-7-14(8-10-15)16-11-22-17-18(23-16)25(20(27)24-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyUHCHHHXYTUSMOL-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.73
Rot. Bonds4

About 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide

4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide (PubChem CID 57392648) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
PubChem CID57392648
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C20H23N5O2/c1-21-19(26)15-9-7-14(8-10-15)16-11-22-17-18(23-16)25(20(27)24-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,21,26)(H,22,24,27)
InChIKeyUHCHHHXYTUSMOL-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide?
The IUPAC name of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide (CID 57392648) is 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide?
The canonical SMILES for 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1.
What is the InChIKey of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide?
The InChIKey is UHCHHHXYTUSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-21-19(26)15-9-7-14(8-10-15)16-11-22-17-18(23-16)25(20(27)24-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,21,26)(H,22,24,27).
What are the key properties of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide?
4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide has a molecular weight of 365.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 57392648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).