4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol

C18H20N4O2 — CID 136506485

IUPAC4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
SMILESOCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1
InChIInChI=1S/C18H20N4O2/c23-10-12-1-5-14(6-2-12)22-11-20-17-18(22)21-16(9-19-17)13-3-7-15(24)8-4-13/h3-4,7-9,11-12,14,23-24H,1-2,5-6,10H2
InChIKeyHOYCHBZYOFTAOU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds3

About 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol

4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol (PubChem CID 136506485) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
PubChem CID136506485
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
SMILESOCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1
InChIInChI=1S/C18H20N4O2/c23-10-12-1-5-14(6-2-12)22-11-20-17-18(22)21-16(9-19-17)13-3-7-15(24)8-4-13/h3-4,7-9,11-12,14,23-24H,1-2,5-6,10H2
InChIKeyHOYCHBZYOFTAOU-UHFFFAOYSA-N
XLogP2.92
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
CID 136506481
4-[3-(2-methylpropyl)imidazo[4,5-b]pyrazin-5-yl]phenol
CID 141207641
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
(4-pyrrolo[2,3-d]pyrimidin-7-ylcyclohexyl)methanol
CID 143541297
3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 141207722
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
5-hydroxy-2-[4-(hydroxymethyl)cyclohexyl]isoindole-1,3-dione
CID 171422461
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
(4-pyrazolo[3,4-c]pyridin-2-ylcyclohexyl)methanol
CID 175931249
[1-[7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-yl]methanol
CID 118338195
4-[(1R,4S)-4-(hydroxymethyl)cycloheptyl]phenol
CID 73057394
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The IUPAC name of 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol (CID 136506485) is 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol is OCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1.
What is the InChIKey of 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The InChIKey is HOYCHBZYOFTAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-10-12-1-5-14(6-2-12)22-11-20-17-18(22)21-16(9-19-17)13-3-7-15(24)8-4-13/h3-4,7-9,11-12,14,23-24H,1-2,5-6,10H2.
What are the key properties of 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol has a molecular weight of 324.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 136506485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).