(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone

C22H18N4O2 — CID 163315032

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cncc3[nH]cnc23)cc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C22H18N4O2/c27-18-6-5-14-7-8-26(12-17(14)9-18)22(28)16-3-1-15(2-4-16)19-10-23-11-20-21(19)25-13-24-20/h1-6,9-11,13,27H,7-8,12H2,(H,24,25)
InChIKeyPACHHWGGSKPJBD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.53
Rot. Bonds2

About (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone (PubChem CID 163315032) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone
PubChem CID163315032
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cncc3[nH]cnc23)cc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C22H18N4O2/c27-18-6-5-14-7-8-26(12-17(14)9-18)22(28)16-3-1-15(2-4-16)19-10-23-11-20-21(19)25-13-24-20/h1-6,9-11,13,27H,7-8,12H2,(H,24,25)
InChIKeyPACHHWGGSKPJBD-UHFFFAOYSA-N
XLogP3.53
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
3-(3H-imidazo[4,5-c]pyridin-7-yl)benzoic acid
CID 162633785
(3-chloro-5-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81041263
(5-bromo-2-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62959552
(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115771056
(3-aminophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 60962963
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
(5-chloro-2-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115532907
2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone
CID 167790437
[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146045217

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone (CID 163315032) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone is O=C(c1ccc(-c2cncc3[nH]cnc23)cc1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone?
The InChIKey is PACHHWGGSKPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-18-6-5-14-7-8-26(12-17(14)9-18)22(28)16-3-1-15(2-4-16)19-10-23-11-20-21(19)25-13-24-20/h1-6,9-11,13,27H,7-8,12H2,(H,24,25).
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone has a molecular weight of 370.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(3H-imidazo[4,5-c]pyridin-7-yl)phenyl]methanone is sourced from PubChem (CID 163315032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).