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

C19H22N4O2 — CID 136506481

IUPAC4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
SMILESCOCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1
InChIInChI=1S/C19H22N4O2/c1-25-11-13-2-6-15(7-3-13)23-12-21-18-19(23)22-17(10-20-18)14-4-8-16(24)9-5-14/h4-5,8-10,12-13,15,24H,2-3,6-7,11H2,1H3
InChIKeyBSPDWUKTIFTHCJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.58
Rot. Bonds4

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

4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol (PubChem CID 136506481) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
PubChem CID136506481
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
SMILESCOCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1
InChIInChI=1S/C19H22N4O2/c1-25-11-13-2-6-15(7-3-13)23-12-21-18-19(23)22-17(10-20-18)14-4-8-16(24)9-5-14/h4-5,8-10,12-13,15,24H,2-3,6-7,11H2,1H3
InChIKeyBSPDWUKTIFTHCJ-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(hydroxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol
CID 136506485
4-[3-(2-methylpropyl)imidazo[4,5-b]pyrazin-5-yl]phenol
CID 141207641
5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
CID 176562674
9-[3-(methoxymethyl)cyclobutyl]-6-methylpurin-2-amine
CID 158232421
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
3-(cyclohexylmethyl)-5-[4-(1H-imidazol-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 141207722
5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 137403563
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine
CID 70499663
4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137270193
3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 51505752
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The IUPAC name of 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol (CID 136506481) is 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The canonical SMILES for 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol is COCC1CCC(n2cnc3ncc(-c4ccc(O)cc4)nc32)CC1.
What is the InChIKey of 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
The InChIKey is BSPDWUKTIFTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-11-13-2-6-15(7-3-13)23-12-21-18-19(23)22-17(10-20-18)14-4-8-16(24)9-5-14/h4-5,8-10,12-13,15,24H,2-3,6-7,11H2,1H3.
What are the key properties of 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol?
4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol has a molecular weight of 338.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(methoxymethyl)cyclohexyl]imidazo[4,5-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 136506481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).