N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide

C21H20N6O — CID 135342819

IUPACN-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCCc1ccncc1-c1cc(N)c2cnc(NC(=O)Cc3ccn[nH]3)cc2c1
InChIInChI=1S/C21H20N6O/c1-2-13-3-5-23-11-17(13)14-7-15-9-20(24-12-18(15)19(22)8-14)26-21(28)10-16-4-6-25-27-16/h3-9,11-12H,2,10,22H2,1H3,(H,25,27)(H,24,26,28)
InChIKeyYMOMZTPOTDBMEJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.35
Rot. Bonds5

About N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide

N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 135342819) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID135342819
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCCc1ccncc1-c1cc(N)c2cnc(NC(=O)Cc3ccn[nH]3)cc2c1
InChIInChI=1S/C21H20N6O/c1-2-13-3-5-23-11-17(13)14-7-15-9-20(24-12-18(15)19(22)8-14)26-21(28)10-16-4-6-25-27-16/h3-9,11-12H,2,10,22H2,1H3,(H,25,27)(H,24,26,28)
InChIKeyYMOMZTPOTDBMEJ-UHFFFAOYSA-N
XLogP3.35
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-N-[8-amino-6-(4-prop-2-enyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 142448054
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310
N'-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N-pyridin-3-yloxamide
CID 155477961
6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
CID 142447924
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161200786
(1S,2R,3S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 167844823
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 155478600
N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448011
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(3-cyano-3-methylcyclobutylidene)acetamide
CID 155478667
N-[8-amino-6-[6-(difluoromethoxy)-4-ethyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448132
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-N'-(1-benzylpyrazol-4-yl)oxamide
CID 155478332

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide (CID 135342819) is N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide is CCc1ccncc1-c1cc(N)c2cnc(NC(=O)Cc3ccn[nH]3)cc2c1.
What is the InChIKey of N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is YMOMZTPOTDBMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-13-3-5-23-11-17(13)14-7-15-9-20(24-12-18(15)19(22)8-14)26-21(28)10-16-4-6-25-27-16/h3-9,11-12H,2,10,22H2,1H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide?
N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-ethyl-3-pyridinyl)isoquinolin-3-yl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 135342819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).