2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine

C29H27Cl3FN3 — CID 91047032

IUPAC2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccnc(-c4c(Cl)cccc4Cl)c3n2)CC1
InChIInChI=1S/C29H27Cl3FN3/c1-29(2,3)36-13-10-17(11-14-36)25-16-21(19-8-7-18(33)15-24(19)32)20-9-12-34-28(27(20)35-25)26-22(30)5-4-6-23(26)31/h4-9,12,15-17H,10-11,13-14H2,1-3H3
InChIKeyBZARKHDLXSKUBD-UHFFFAOYSA-N
MW542.91 g/mol
LogP9.04
Rot. Bonds3

About 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine

2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine (PubChem CID 91047032) has the molecular formula C29H27Cl3FN3 and a molecular weight of 542.91 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine
PubChem CID91047032
Molecular FormulaC29H27Cl3FN3
Molecular Weight542.91 g/mol
Exact Mass541.13
IUPAC Name2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine
SMILESCC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccnc(-c4c(Cl)cccc4Cl)c3n2)CC1
InChIInChI=1S/C29H27Cl3FN3/c1-29(2,3)36-13-10-17(11-14-36)25-16-21(19-8-7-18(33)15-24(19)32)20-9-12-34-28(27(20)35-25)26-22(30)5-4-6-23(26)31/h4-9,12,15-17H,10-11,13-14H2,1-3H3
InChIKeyBZARKHDLXSKUBD-UHFFFAOYSA-N
XLogP9.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.91
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine with MolForge

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Related Compounds

4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
CID 91148535
4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine
CID 25115234
4-(2-chloro-4-fluorophenyl)-8-(2-chlorophenyl)-2-piperidin-4-yl-1,7-naphthyridine;4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 87661622
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
CID 24898100
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
CID 24896996
7-[1-tert-butyl-4-(hydroxymethyl)piperidin-4-yl]-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-(2-fluorophenyl)-1,8-naphthyridin-2-one;7-(1-tert-butylpiperidin-4-yl)-1-(2,6-dichlorophenyl)-5-phenyl-1,8-naphthyridin-2-one
CID 159139554
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
CID 23532696
tert-butyl 4-[8-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,7-naphthyridin-2-yl]piperazine-1-carboxylate
CID 69027828
4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine;4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium-2-amine
CID 87441702
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270546
1-tert-butyl-4-[4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxo-1,8-naphthyridin-2-yl]piperidine-4-carboxylic acid
CID 23532635
7-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one;hydrochloride
CID 173220690

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine (CID 91047032) is 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine is CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccnc(-c4c(Cl)cccc4Cl)c3n2)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine?
The InChIKey is BZARKHDLXSKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl3FN3/c1-29(2,3)36-13-10-17(11-14-36)25-16-21(19-8-7-18(33)15-24(19)32)20-9-12-34-28(27(20)35-25)26-22(30)5-4-6-23(26)31/h4-9,12,15-17H,10-11,13-14H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine?
2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine has a molecular weight of 542.91 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine is sourced from PubChem (CID 91047032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).