2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine

C27H23ClFN7 — CID 67365535

IUPAC2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)n2)c2cccnc2n1
InChIInChI=1S/C27H23ClFN7/c28-19-5-6-23(29)22(12-19)24-13-21(20-4-3-7-31-27(20)34-24)26-16-30-15-25(33-26)18-14-32-36(17-18)11-10-35-8-1-2-9-35/h3-7,12-17H,1-2,8-11H2
InChIKeyWCNHXFSQATVZBZ-UHFFFAOYSA-N
MW499.98 g/mol
LogP5.51
Rot. Bonds6

About 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine (PubChem CID 67365535) has the molecular formula C27H23ClFN7 and a molecular weight of 499.98 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine
PubChem CID67365535
Molecular FormulaC27H23ClFN7
Molecular Weight499.98 g/mol
Exact Mass499.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)n2)c2cccnc2n1
InChIInChI=1S/C27H23ClFN7/c28-19-5-6-23(29)22(12-19)24-13-21(20-4-3-7-31-27(20)34-24)26-16-30-15-25(33-26)18-14-32-36(17-18)11-10-35-8-1-2-9-35/h3-7,12-17H,1-2,8-11H2
InChIKeyWCNHXFSQATVZBZ-UHFFFAOYSA-N
XLogP5.51
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.98
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine (CID 67365535) is 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)n2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine?
The InChIKey is WCNHXFSQATVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN7/c28-19-5-6-23(29)22(12-19)24-13-21(20-4-3-7-31-27(20)34-24)26-16-30-15-25(33-26)18-14-32-36(17-18)11-10-35-8-1-2-9-35/h3-7,12-17H,1-2,8-11H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine has a molecular weight of 499.98 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-1,8-naphthyridine is sourced from PubChem (CID 67365535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).