2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone

C28H26F2N4O — CID 161019582

IUPAC2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone
SMILESCN1CCC(c2cccc(C(=O)Cc3cc4cc(-c5cncc(C(F)F)c5)ncc4cn3)c2)CC1
InChIInChI=1S/C28H26F2N4O/c1-34-7-5-18(6-8-34)19-3-2-4-20(9-19)27(35)13-25-11-21-12-26(33-17-24(21)16-32-25)22-10-23(28(29)30)15-31-14-22/h2-4,9-12,14-18,28H,5-8,13H2,1H3
InChIKeyTYENCRLYCBLKRY-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.86
Rot. Bonds6

About 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone

2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone (PubChem CID 161019582) has the molecular formula C28H26F2N4O and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone
PubChem CID161019582
Molecular FormulaC28H26F2N4O
Molecular Weight472.54 g/mol
Exact Mass472.21
IUPAC Name2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone
SMILESCN1CCC(c2cccc(C(=O)Cc3cc4cc(-c5cncc(C(F)F)c5)ncc4cn3)c2)CC1
InChIInChI=1S/C28H26F2N4O/c1-34-7-5-18(6-8-34)19-3-2-4-20(9-19)27(35)13-25-11-21-12-26(33-17-24(21)16-32-25)22-10-23(28(29)30)15-31-14-22/h2-4,9-12,14-18,28H,5-8,13H2,1H3
InChIKeyTYENCRLYCBLKRY-UHFFFAOYSA-N
XLogP5.86
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone with MolForge

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Related Compounds

3-Amino-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10469962
Benzo(b)pyrido(4,3,2-de)(1,7)phenanthrolin-8-one
CID 9860577
Crl-8294
CID 15480973
Neoamphimedine
CID 10041259
6-methyl-N,2-di-4-pyridinyl-4-quinolinecarboxamide
CID 899146
1-(4-Benzoylpiperazin-1-yl)-2-(1,6-naphthyridin-2-yl)ethane-1,2-dione
CID 5280261
3-(Dimethylamino)-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 9905407
3-(Dimethylamino)-6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 11832660
Cinchoninone
CID 25201712
[8-Methyl-2-(pyridin-4-yl)quinolin-4-yl](4-phenylpiperazin-1-yl)methanone
CID 1257121
1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone
CID 10639706
11-(4-Fluorophenyl)-12,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 72375058

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone?
The IUPAC name of 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone (CID 161019582) is 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone?
The canonical SMILES for 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone is CN1CCC(c2cccc(C(=O)Cc3cc4cc(-c5cncc(C(F)F)c5)ncc4cn3)c2)CC1.
What is the InChIKey of 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone?
The InChIKey is TYENCRLYCBLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O/c1-34-7-5-18(6-8-34)19-3-2-4-20(9-19)27(35)13-25-11-21-12-26(33-17-24(21)16-32-25)22-10-23(28(29)30)15-31-14-22/h2-4,9-12,14-18,28H,5-8,13H2,1H3.
What are the key properties of 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone?
2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone has a molecular weight of 472.54 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(difluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[3-(1-methylpiperidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 161019582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).