1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one

C17H19N5O — CID 159571018

IUPAC1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one
SMILESCN1CCn2ncc(-c3ccc4c(c3)C(CN)=NCC4=O)c2C1
InChIInChI=1S/C17H19N5O/c1-21-4-5-22-16(10-21)14(8-20-22)11-2-3-12-13(6-11)15(7-18)19-9-17(12)23/h2-3,6,8H,4-5,7,9-10,18H2,1H3
InChIKeySIQDKDQLGQACKY-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.94
Rot. Bonds2

About 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one

1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one (PubChem CID 159571018) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one
PubChem CID159571018
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one
SMILESCN1CCn2ncc(-c3ccc4c(c3)C(CN)=NCC4=O)c2C1
InChIInChI=1S/C17H19N5O/c1-21-4-5-22-16(10-21)14(8-20-22)11-2-3-12-13(6-11)15(7-18)19-9-17(12)23/h2-3,6,8H,4-5,7,9-10,18H2,1H3
InChIKeySIQDKDQLGQACKY-UHFFFAOYSA-N
XLogP0.94
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 162128775
1-(aminomethyl)-7-[5-(2-isocyano-4-methoxy-3-methylphenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 159585260
1-(aminomethyl)-7-[5-(4-chloro-3-cyclopropyloxy-2-isocyanophenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 160742066
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-methoxy-3-pyridinyl)-3H-isoquinolin-4-one
CID 157217123
1-(aminomethyl)-7-(6-methylimidazo[1,2-a]pyrazin-3-yl)-3H-isoquinolin-4-one
CID 157179463
1-(aminomethyl)-7-(5-ethyl-7H-cyclopenta[b]pyridin-3-yl)-3H-isoquinolin-4-one
CID 158185494
1-(aminomethyl)-7-[5-(5-cyclopropyloxy-2-fluoro-6-isocyano-3-methylphenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 160980264
1-(aminomethyl)-7-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3H-isoquinolin-4-one
CID 161233532
1-(aminomethyl)-7-[5-(3-chlorophenoxy)-3-pyridinyl]-3H-isoquinolin-4-one
CID 160515432
1-(aminomethyl)-7-[5-(1-isocyanonaphthalen-2-yl)-1,2-thiazol-4-yl]-3H-isoquinolin-4-one
CID 161021173
3-[3-(3-ethylphenyl)-4-fluorophenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 142799183

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The IUPAC name of 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one (CID 159571018) is 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one.
What is the SMILES notation for 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The canonical SMILES for 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one is CN1CCn2ncc(-c3ccc4c(c3)C(CN)=NCC4=O)c2C1.
What is the InChIKey of 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
The InChIKey is SIQDKDQLGQACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-4-5-22-16(10-21)14(8-20-22)11-2-3-12-13(6-11)15(7-18)19-9-17(12)23/h2-3,6,8H,4-5,7,9-10,18H2,1H3.
What are the key properties of 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one?
1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-3H-isoquinolin-4-one is sourced from PubChem (CID 159571018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).