2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol

C24H27N3O3 — CID 161262392

IUPAC2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol
SMILESOc1ccccc1-c1nc(-c2ccc(CN3CCOCC3)cc2O)n2c1CCCC2
InChIInChI=1S/C24H27N3O3/c28-21-7-2-1-5-18(21)23-20-6-3-4-10-27(20)24(25-23)19-9-8-17(15-22(19)29)16-26-11-13-30-14-12-26/h1-2,5,7-9,15,28-29H,3-4,6,10-14,16H2
InChIKeyCAKSGNSUYKRNGD-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.80
Rot. Bonds4

About 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol

2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol (PubChem CID 161262392) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol
PubChem CID161262392
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol
SMILESOc1ccccc1-c1nc(-c2ccc(CN3CCOCC3)cc2O)n2c1CCCC2
InChIInChI=1S/C24H27N3O3/c28-21-7-2-1-5-18(21)23-20-6-3-4-10-27(20)24(25-23)19-9-8-17(15-22(19)29)16-26-11-13-30-14-12-26/h1-2,5,7-9,15,28-29H,3-4,6,10-14,16H2
InChIKeyCAKSGNSUYKRNGD-UHFFFAOYSA-N
XLogP3.80
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]benzoate
CID 160796678
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
N-(2-morpholin-4-ylethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 35994381
2-amino-8-(morpholin-4-ylmethyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 54760221
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol?
The IUPAC name of 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol (CID 161262392) is 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol is Oc1ccccc1-c1nc(-c2ccc(CN3CCOCC3)cc2O)n2c1CCCC2.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol?
The InChIKey is CAKSGNSUYKRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21-7-2-1-5-18(21)23-20-6-3-4-10-27(20)24(25-23)19-9-8-17(15-22(19)29)16-26-11-13-30-14-12-26/h1-2,5,7-9,15,28-29H,3-4,6,10-14,16H2.
What are the key properties of 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol?
2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol has a molecular weight of 405.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-5-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 161262392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).