1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

C18H14F3N3O2 — CID 90444042

IUPAC1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1
InChIInChI=1S/C18H14F3N3O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21/h2-4,6-9H,5,10H2,1H3
InChIKeyBUIRMMULJHNISI-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.75
Rot. Bonds5

About 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one

1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (PubChem CID 90444042) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
PubChem CID90444042
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
SMILESCC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1
InChIInChI=1S/C18H14F3N3O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21/h2-4,6-9H,5,10H2,1H3
InChIKeyBUIRMMULJHNISI-UHFFFAOYSA-N
XLogP3.75
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one with MolForge

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Related Compounds

1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 134152988
7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296469
7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296470
7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296471
7-[(3-Chloro-4-fluorophenyl)methoxy]-1,5-naphthyridine-3-carboxamide
CID 86296657
2-(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)acetamide
CID 86296849
2-[7-[[6-(Trifluoromethyl)pyridin-2-yl]methoxy]-1,5-naphthyridin-3-yl]acetamide
CID 86296851
2-{7-[(4-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl}propan-2-ol
CID 86301657
(7-((3,4-Difluorobenzyl)oxy)-1,5-naphthyridin-3-yl)methanol
CID 86301659
2-{7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl}acetonitrile
CID 86301660
3-[(4-Fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
CID 86301815
2-[7-[(3-Fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301816

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one (CID 90444042) is 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is CC(=O)Cc1cnc2cc(OCc3cccc(C(F)(F)F)n3)cnc2c1.
What is the InChIKey of 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
The InChIKey is BUIRMMULJHNISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-11(25)5-12-6-15-16(22-8-12)7-14(9-23-15)26-10-13-3-2-4-17(24-13)18(19,20)21/h2-4,6-9H,5,10H2,1H3.
What are the key properties of 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one?
1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one has a molecular weight of 361.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 90444042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).