3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C21H26N4O2 — CID 57397894

IUPAC3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26)
InChIKeyBHPWHRPVZOWBAN-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.59
Rot. Bonds4

About 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57397894) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57397894
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26)
InChIKeyBHPWHRPVZOWBAN-UHFFFAOYSA-N
XLogP3.59
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 57397894) is 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is BHPWHRPVZOWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 366.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57397894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).