7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine

C26H28BrN3 — CID 164880727

IUPAC7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine
SMILESBrc1ccnc2c1CCN(C1CCN(C(c3ccccc3)c3ccccc3)CC1)C2
InChIInChI=1S/C26H28BrN3/c27-24-11-15-28-25-19-30(18-14-23(24)25)22-12-16-29(17-13-22)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,15,22,26H,12-14,16-19H2
InChIKeyNKDKAEQABAONIO-UHFFFAOYSA-N
MW462.44 g/mol
LogP5.46
Rot. Bonds4

About 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine

7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine (PubChem CID 164880727) has the molecular formula C26H28BrN3 and a molecular weight of 462.44 g/mol. Its IUPAC name is 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine.

Molecular Properties

Compound Name7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine
PubChem CID164880727
Molecular FormulaC26H28BrN3
Molecular Weight462.44 g/mol
Exact Mass461.15
IUPAC Name7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine
SMILESBrc1ccnc2c1CCN(C1CCN(C(c3ccccc3)c3ccccc3)CC1)C2
InChIInChI=1S/C26H28BrN3/c27-24-11-15-28-25-19-30(18-14-23(24)25)22-12-16-29(17-13-22)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,15,22,26H,12-14,16-19H2
InChIKeyNKDKAEQABAONIO-UHFFFAOYSA-N
XLogP5.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-benzhydrylpiperidin-4-yl)-6,8-dihydro-5H-1,7-naphthyridine
CID 164880666
6-(1-benzhydrylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 164880569
2-(1-benzhydrylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 164880581
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137
3-(1-benzhydrylpiperidin-4-yl)-7-nitro-1,2,4,5-tetrahydro-3-benzazepine
CID 164880624
2-(1-benzhydrylpiperidin-4-yl)-5-methoxy-1,3-dihydroisoindole
CID 164880699
1-benzhydrylpiperidin-4-amine;cyclobutane
CID 18425735
3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole
CID 141033629
3-benzhydryl-2-methyl-6-(4-phenylcyclohexyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 59314965
1-[phenyl(pyridin-2-yl)methyl]piperidin-4-amine
CID 43130878
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
1-benzhydryl-3-[(7-bromo-2,3-dihydro-1H-inden-4-yl)oxy]azetidine
CID 22451505

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine?
The IUPAC name of 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine (CID 164880727) is 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine.
What is the SMILES notation for 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine?
The canonical SMILES for 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine is Brc1ccnc2c1CCN(C1CCN(C(c3ccccc3)c3ccccc3)CC1)C2.
What is the InChIKey of 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine?
The InChIKey is NKDKAEQABAONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN3/c27-24-11-15-28-25-19-30(18-14-23(24)25)22-12-16-29(17-13-22)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,15,22,26H,12-14,16-19H2.
What are the key properties of 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine?
7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine has a molecular weight of 462.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzhydrylpiperidin-4-yl)-4-bromo-6,8-dihydro-5H-1,7-naphthyridine is sourced from PubChem (CID 164880727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).