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

C19H21N5O2 — CID 57401331

IUPAC4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26)
InChIKeyJQICHLGPNKWAQP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.47
Rot. Bonds4

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

4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide (PubChem CID 57401331) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
PubChem CID57401331
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26)
InChIKeyJQICHLGPNKWAQP-UHFFFAOYSA-N
XLogP2.47
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.47
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]benzamide?
The IUPAC name of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide (CID 57401331) is 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide.
What is the SMILES notation for 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
The canonical SMILES for 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide is NC(=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]benzamide?
The InChIKey is JQICHLGPNKWAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26).
What are the key properties of 4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide?
4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.47, 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]benzamide is sourced from PubChem (CID 57401331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).