N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine

C24H17N5O — CID 59374290

IUPACN-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3-c3cccc4cnccc34)cc2)nc1
InChIInChI=1S/C24H17N5O/c1-2-12-26-22(6-1)29-18-7-9-19(10-8-18)30-24-23(27-14-15-28-24)21-5-3-4-17-16-25-13-11-20(17)21/h1-16H,(H,26,29)
InChIKeyWPADOIWBNDOXLF-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.62
Rot. Bonds5

About N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine

N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine (PubChem CID 59374290) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
PubChem CID59374290
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC NameN-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3-c3cccc4cnccc34)cc2)nc1
InChIInChI=1S/C24H17N5O/c1-2-12-26-22(6-1)29-18-7-9-19(10-8-18)30-24-23(27-14-15-28-24)21-5-3-4-17-16-25-13-11-20(17)21/h1-16H,(H,26,29)
InChIKeyWPADOIWBNDOXLF-UHFFFAOYSA-N
XLogP5.62
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine (CID 59374290) is N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3nccnc3-c3cccc4cnccc34)cc2)nc1.
What is the InChIKey of N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
The InChIKey is WPADOIWBNDOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c1-2-12-26-22(6-1)29-18-7-9-19(10-8-18)30-24-23(27-14-15-28-24)21-5-3-4-17-16-25-13-11-20(17)21/h1-16H,(H,26,29).
What are the key properties of N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine?
N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine has a molecular weight of 391.43 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-isoquinolin-5-ylpyrazin-2-yl)oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).