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

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

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Related Compounds

Seletalisib
CID 56928390
SD-208
CID 10316032
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
3-[6-(2,6-Dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-phenylurea
CID 5328163
6-Arylpyrido[2,3-d]pyrimidine deriv. 64
CID 5328166
3-[6-(2,6-Dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-(4-methylphenyl)urea
CID 5328168
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-ylpyridin-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 46871653
1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine
CID 46906624
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
6-Arylpyrido[2,3-d]pyrimidine deriv. 83
CID 5328185
3-(2,6-dichlorophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330142
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778

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).