N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine

C24H22N8O — CID 117078244

IUPACN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
SMILESc1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C24H22N8O/c1-2-18-13-25-23(12-19(18)11-17(1)20-14-27-28-15-20)29-21-3-5-22(6-4-21)32-16-26-24(30-32)31-7-9-33-10-8-31/h1-6,11-16H,7-10H2,(H,25,29)(H,27,28)
InChIKeyCKKZXLIADLIVIK-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine

N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine (PubChem CID 117078244) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
PubChem CID117078244
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC NameN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
SMILESc1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C24H22N8O/c1-2-18-13-25-23(12-19(18)11-17(1)20-14-27-28-15-20)29-21-3-5-22(6-4-21)32-16-26-24(30-32)31-7-9-33-10-8-31/h1-6,11-16H,7-10H2,(H,25,29)(H,27,28)
InChIKeyCKKZXLIADLIVIK-UHFFFAOYSA-N
XLogP3.79
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078265
7-(5-methyl-1H-pyrazol-4-yl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078263
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
3-(dimethylamino)-5-[2-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile
CID 59587998
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 135948865
N-(4-morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
CID 127031677
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxypiperidin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 25221250
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
CID 166954887
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
CID 58082313

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine (CID 117078244) is N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine is c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1cc2cc(-c3cn[nH]c3)ccc2cn1.
What is the InChIKey of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is CKKZXLIADLIVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-2-18-13-25-23(12-19(18)11-17(1)20-14-27-28-15-20)29-21-3-5-22(6-4-21)32-16-26-24(30-32)31-7-9-33-10-8-31/h1-6,11-16H,7-10H2,(H,25,29)(H,27,28).
What are the key properties of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine?
N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 438.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 117078244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).