1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one

C17H15N5O — CID 157179463

IUPAC1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one
SMILESCc1cn2c(-c3ccc4c(c3)C(CN)=NCC4=O)cnc2cn1
InChIInChI=1S/C17H15N5O/c1-10-9-22-15(6-21-17(22)8-19-10)11-2-3-12-13(4-11)14(5-18)20-7-16(12)23/h2-4,6,8-9H,5,7,18H2,1H3
InChIKeyOSZZMNADBFGKCX-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.65
Rot. Bonds2

About 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one

1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one (PubChem CID 157179463) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one
PubChem CID157179463
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one
SMILESCc1cn2c(-c3ccc4c(c3)C(CN)=NCC4=O)cnc2cn1
InChIInChI=1S/C17H15N5O/c1-10-9-22-15(6-21-17(22)8-19-10)11-2-3-12-13(4-11)14(5-18)20-7-16(12)23/h2-4,6,8-9H,5,7,18H2,1H3
InChIKeyOSZZMNADBFGKCX-UHFFFAOYSA-N
XLogP1.65
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one
CID 161233532
1-(aminomethyl)-7-(5-methoxy-3-pyridinyl)-3H-isoquinolin-4-one
CID 157217123
1-(aminomethyl)-7-(5-ethyl-7H-cyclopenta[b]pyridin-3-yl)-3H-isoquinolin-4-one
CID 158185494
1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one
CID 159571018
1-(aminomethyl)-7-[5-(2-isocyano-4-methoxy-3-methylphenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 159585260
1-(aminomethyl)-7-[5-(3-chlorophenoxy)-3-pyridinyl]-3H-isoquinolin-4-one
CID 160515432
1-(aminomethyl)-7-[5-(7-isocyano-1,3-benzothiazol-6-yl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 162144609
1-(aminomethyl)-7-[5-(1-isocyanonaphthalen-2-yl)-1,2-thiazol-4-yl]-3H-isoquinolin-4-one
CID 161021173
1-(aminomethyl)-7-[5-(4-chloro-3-cyclopropyloxy-2-isocyanophenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 160742066
3-[4-(2-aminoethoxy)phenyl]-N-methyl-N-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157297
[6-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 143550682
1-[3-[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 155543418

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The IUPAC name of 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one (CID 157179463) is 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one.
What is the SMILES notation for 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The canonical SMILES for 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one is Cc1cn2c(-c3ccc4c(c3)C(CN)=NCC4=O)cnc2cn1.
What is the InChIKey of 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The InChIKey is OSZZMNADBFGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-9-22-15(6-21-17(22)8-19-10)11-2-3-12-13(4-11)14(5-18)20-7-16(12)23/h2-4,6,8-9H,5,7,18H2,1H3.
What are the key properties of 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one has a molecular weight of 305.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one is sourced from PubChem (CID 157179463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).