2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine

C29H23ClFN5 — CID 53345181

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c2cccnc2n1
InChIInChI=1S/C29H23ClFN5/c30-22-5-8-27(31)26(15-22)28-16-25(24-2-1-9-34-29(24)35-28)21-14-20(17-33-18-21)19-3-6-23(7-4-19)36-12-10-32-11-13-36/h1-9,14-18,32H,10-13H2
InChIKeyIDGCGUWIEHPFAV-UHFFFAOYSA-N
MW495.99 g/mol
LogP6.23
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53345181) has the molecular formula C29H23ClFN5 and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID53345181
Molecular FormulaC29H23ClFN5
Molecular Weight495.99 g/mol
Exact Mass495.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c2cccnc2n1
InChIInChI=1S/C29H23ClFN5/c30-22-5-8-27(31)26(15-22)28-16-25(24-2-1-9-34-29(24)35-28)21-14-20(17-33-18-21)19-3-6-23(7-4-19)36-12-10-32-11-13-36/h1-9,14-18,32H,10-13H2
InChIKeyIDGCGUWIEHPFAV-UHFFFAOYSA-N
XLogP6.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.99
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine (CID 53345181) is 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is IDGCGUWIEHPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClFN5/c30-22-5-8-27(31)26(15-22)28-16-25(24-2-1-9-34-29(24)35-28)21-14-20(17-33-18-21)19-3-6-23(7-4-19)36-12-10-32-11-13-36/h1-9,14-18,32H,10-13H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 495.99 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53345181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).