N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C23H16N4OS — CID 59374304

IUPACN-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3-c3cccc4ccsc34)cc2)nc1
InChIInChI=1S/C23H16N4OS/c1-2-12-24-20(6-1)27-17-7-9-18(10-8-17)28-23-21(25-13-14-26-23)19-5-3-4-16-11-15-29-22(16)19/h1-15H,(H,24,27)
InChIKeyVQARPLYWKHOQFM-UHFFFAOYSA-N
MW396.48 g/mol
LogP6.29
Rot. Bonds5

About N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374304) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374304
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC NameN-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESc1ccc(Nc2ccc(Oc3nccnc3-c3cccc4ccsc34)cc2)nc1
InChIInChI=1S/C23H16N4OS/c1-2-12-24-20(6-1)27-17-7-9-18(10-8-17)28-23-21(25-13-14-26-23)19-5-3-4-16-11-15-29-22(16)19/h1-15H,(H,24,27)
InChIKeyVQARPLYWKHOQFM-UHFFFAOYSA-N
XLogP6.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374304) is N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is c1ccc(Nc2ccc(Oc3nccnc3-c3cccc4ccsc34)cc2)nc1.
What is the InChIKey of N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is VQARPLYWKHOQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c1-2-12-24-20(6-1)27-17-7-9-18(10-8-17)28-23-21(25-13-14-26-23)19-5-3-4-16-11-15-29-22(16)19/h1-15H,(H,24,27).
What are the key properties of N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 396.48 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-benzothiophen-7-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).