7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine

C24H31F2N3O2 — CID 15983839

IUPAC7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1
InChIInChI=1S/C24H31F2N3O2/c1-28-16-19-14-23(31-13-3-10-29-11-8-24(25,26)9-12-29)27-15-21(19)22(17-28)18-4-6-20(30-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3
InChIKeyZUWJCXYNKNLHGC-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.17
Rot. Bonds7

About 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine

7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 15983839) has the molecular formula C24H31F2N3O2 and a molecular weight of 431.53 g/mol. Its IUPAC name is 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID15983839
Molecular FormulaC24H31F2N3O2
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESCOc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1
InChIInChI=1S/C24H31F2N3O2/c1-28-16-19-14-23(31-13-3-10-29-11-8-24(25,26)9-12-29)27-15-21(19)22(17-28)18-4-6-20(30-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3
InChIKeyZUWJCXYNKNLHGC-UHFFFAOYSA-N
XLogP4.17
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine (CID 15983839) is 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine is COc1ccc(C2CN(C)Cc3cc(OCCCN4CCC(F)(F)CC4)ncc32)cc1.
What is the InChIKey of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is ZUWJCXYNKNLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O2/c1-28-16-19-14-23(31-13-3-10-29-11-8-24(25,26)9-12-29)27-15-21(19)22(17-28)18-4-6-20(30-2)7-5-18/h4-7,14-15,22H,3,8-13,16-17H2,1-2H3.
What are the key properties of 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine?
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 431.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 15983839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).