7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

C19H15N5O2 — CID 138381450

IUPAC7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3ccnc3-c3ccc(-c4ccn[nH]4)o3)cc21
InChIInChI=1S/C19H15N5O2/c25-19-14-11-13(2-1-12(14)5-7-21-19)24-10-9-20-18(24)17-4-3-16(26-17)15-6-8-22-23-15/h1-4,6,8-11H,5,7H2,(H,21,25)(H,22,23)
InChIKeyPZWMPWBTUXMTJZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.81
Rot. Bonds3

About 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138381450) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138381450
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3ccnc3-c3ccc(-c4ccn[nH]4)o3)cc21
InChIInChI=1S/C19H15N5O2/c25-19-14-11-13(2-1-12(14)5-7-21-19)24-10-9-20-18(24)17-4-3-16(26-17)15-6-8-22-23-15/h1-4,6,8-11H,5,7H2,(H,21,25)(H,22,23)
InChIKeyPZWMPWBTUXMTJZ-UHFFFAOYSA-N
XLogP2.81
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138381607
4-methyl-7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-1H-quinolin-2-one
CID 70707342
7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386014
7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138807286
7-[2-(6-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138380939
7-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138383432
7-[2-[5-(piperidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386634
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole
CID 138382486
2-methoxy-5-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)imidazol-2-yl]benzoic acid
CID 138377869
7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 147958590
7-[2-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one;formic acid
CID 154920241
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330

Frequently Asked Questions

What is the IUPAC name of 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 138381450) is 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(-n3ccnc3-c3ccc(-c4ccn[nH]4)o3)cc21.
What is the InChIKey of 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is PZWMPWBTUXMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-19-14-11-13(2-1-12(14)5-7-21-19)24-10-9-20-18(24)17-4-3-16(26-17)15-6-8-22-23-15/h1-4,6,8-11H,5,7H2,(H,21,25)(H,22,23).
What are the key properties of 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 345.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138381450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).