4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine

C26H22ClF2N3 — CID 91148535

IUPAC4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
SMILESCN1CCC(c2cc(-c3ccccc3Cl)c3ccnc(-c4c(F)cccc4F)c3n2)CC1
InChIInChI=1S/C26H22ClF2N3/c1-32-13-10-16(11-14-32)23-15-19(17-5-2-3-6-20(17)27)18-9-12-30-26(25(18)31-23)24-21(28)7-4-8-22(24)29/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyJHCNMHBPILDDST-UHFFFAOYSA-N
MW449.93 g/mol
LogP6.70
Rot. Bonds3

About 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine

4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine (PubChem CID 91148535) has the molecular formula C26H22ClF2N3 and a molecular weight of 449.93 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
PubChem CID91148535
Molecular FormulaC26H22ClF2N3
Molecular Weight449.93 g/mol
Exact Mass449.15
IUPAC Name4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
SMILESCN1CCC(c2cc(-c3ccccc3Cl)c3ccnc(-c4c(F)cccc4F)c3n2)CC1
InChIInChI=1S/C26H22ClF2N3/c1-32-13-10-16(11-14-32)23-15-19(17-5-2-3-6-20(17)27)18-9-12-30-26(25(18)31-23)24-21(28)7-4-8-22(24)29/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyJHCNMHBPILDDST-UHFFFAOYSA-N
XLogP6.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.93
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine?
The IUPAC name of 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine (CID 91148535) is 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine?
The canonical SMILES for 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine is CN1CCC(c2cc(-c3ccccc3Cl)c3ccnc(-c4c(F)cccc4F)c3n2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine?
The InChIKey is JHCNMHBPILDDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N3/c1-32-13-10-16(11-14-32)23-15-19(17-5-2-3-6-20(17)27)18-9-12-30-26(25(18)31-23)24-21(28)7-4-8-22(24)29/h2-9,12,15-16H,10-11,13-14H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine?
4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine has a molecular weight of 449.93 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine is sourced from PubChem (CID 91148535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).