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

C24H16ClN5O — CID 59373993

IUPACN-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1ccc2c(-c3nccnc3Oc3ccc(Nc4ccccn4)cc3)cncc2c1
InChIInChI=1S/C24H16ClN5O/c25-17-4-9-20-16(13-17)14-26-15-21(20)23-24(29-12-11-28-23)31-19-7-5-18(6-8-19)30-22-3-1-2-10-27-22/h1-15H,(H,27,30)
InChIKeyCLYGZPDSLZVJLD-UHFFFAOYSA-N
MW425.88 g/mol
LogP6.28
Rot. Bonds5

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

N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59373993) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59373993
Molecular FormulaC24H16ClN5O
Molecular Weight425.88 g/mol
Exact Mass425.10
IUPAC NameN-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESClc1ccc2c(-c3nccnc3Oc3ccc(Nc4ccccn4)cc3)cncc2c1
InChIInChI=1S/C24H16ClN5O/c25-17-4-9-20-16(13-17)14-26-15-21(20)23-24(29-12-11-28-23)31-19-7-5-18(6-8-19)30-22-3-1-2-10-27-22/h1-15H,(H,27,30)
InChIKeyCLYGZPDSLZVJLD-UHFFFAOYSA-N
XLogP6.28
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59373993) is N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is Clc1ccc2c(-c3nccnc3Oc3ccc(Nc4ccccn4)cc3)cncc2c1.
What is the InChIKey of N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is CLYGZPDSLZVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O/c25-17-4-9-20-16(13-17)14-26-15-21(20)23-24(29-12-11-28-23)31-19-7-5-18(6-8-19)30-22-3-1-2-10-27-22/h1-15H,(H,27,30).
What are the key properties of N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 425.88 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(7-chloroisoquinolin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59373993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).