1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one

C16H19N5O — CID 162128775

IUPAC1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
SMILESCN(C)c1c(-c2ccc3c(c2)C(CN)=NCC3=O)cnn1C
InChIInChI=1S/C16H19N5O/c1-20(2)16-13(8-19-21(16)3)10-4-5-11-12(6-10)14(7-17)18-9-15(11)22/h4-6,8H,7,9,17H2,1-3H3
InChIKeyPPNDSXKQWPNKHP-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.10
Rot. Bonds3

About 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one

1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one (PubChem CID 162128775) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
PubChem CID162128775
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
SMILESCN(C)c1c(-c2ccc3c(c2)C(CN)=NCC3=O)cnn1C
InChIInChI=1S/C16H19N5O/c1-20(2)16-13(8-19-21(16)3)10-4-5-11-12(6-10)14(7-17)18-9-15(11)22/h4-6,8H,7,9,17H2,1-3H3
InChIKeyPPNDSXKQWPNKHP-UHFFFAOYSA-N
XLogP1.10
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(7-isocyano-1,3-benzothiazol-6-yl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 162144609
1-(aminomethyl)-7-[5-(4-chloro-3-cyclopropyloxy-2-isocyanophenyl)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one
CID 160742066
1-(aminomethyl)-7-(5-methoxy-3-pyridinyl)-3H-isoquinolin-4-one
CID 157217123
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-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-(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
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one?
The IUPAC name of 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one (CID 162128775) is 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one.
What is the SMILES notation for 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one?
The canonical SMILES for 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one is CN(C)c1c(-c2ccc3c(c2)C(CN)=NCC3=O)cnn1C.
What is the InChIKey of 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one?
The InChIKey is PPNDSXKQWPNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20(2)16-13(8-19-21(16)3)10-4-5-11-12(6-10)14(7-17)18-9-15(11)22/h4-6,8H,7,9,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one?
1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-7-[5-(dimethylamino)-1-methylpyrazol-4-yl]-3H-isoquinolin-4-one is sourced from PubChem (CID 162128775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).