4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one

C16H14N4O2 — CID 154782169

IUPAC4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H14N4O2/c21-15-11-4-2-1-3-10(11)12(7-17-15)16(22)20-6-5-13-14(8-20)19-9-18-13/h1-4,7,9H,5-6,8H2,(H,17,21)(H,18,19)
InChIKeyAIEDQGIUUZWRSL-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.45
Rot. Bonds1

About 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one

4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one (PubChem CID 154782169) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
PubChem CID154782169
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CCc2nc[nH]c2C1
InChIInChI=1S/C16H14N4O2/c21-15-11-4-2-1-3-10(11)12(7-17-15)16(22)20-6-5-13-14(8-20)19-9-18-13/h1-4,7,9H,5-6,8H2,(H,17,21)(H,18,19)
InChIKeyAIEDQGIUUZWRSL-UHFFFAOYSA-N
XLogP1.45
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one with MolForge

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Related Compounds

4-[(2R)-1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-2H-phthalazin-1-one
CID 97208178
3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-2H-isoquinolin-1-one
CID 138054087
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
naphthalen-1-ylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803031
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167802043
(6-methylpyrazolo[1,5-a]pyridin-3-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 169167417
1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
CID 72850728
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one;dihydrochloride
CID 154901094

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one?
The IUPAC name of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one (CID 154782169) is 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one?
The canonical SMILES for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one is O=C(c1c[nH]c(=O)c2ccccc12)N1CCc2nc[nH]c2C1.
What is the InChIKey of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one?
The InChIKey is AIEDQGIUUZWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15-11-4-2-1-3-10(11)12(7-17-15)16(22)20-6-5-13-14(8-20)19-9-18-13/h1-4,7,9H,5-6,8H2,(H,17,21)(H,18,19).
What are the key properties of 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one?
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one has a molecular weight of 294.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 154782169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).