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2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine

C19H16F3N3 — CID 24731662

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESFC(F)(F)c1cccc(CN2CCc3nc4ccncc4cc3C2)c1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-13(8-16)11-25-7-5-18-15(12-25)9-14-10-23-6-4-17(14)24-18/h1-4,6,8-10H,5,7,11-12H2
InChIKeySKDQHJWVSDATCX-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.21
Rot. Bonds2

About 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine

2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (PubChem CID 24731662) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
PubChem CID24731662
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESFC(F)(F)c1cccc(CN2CCc3nc4ccncc4cc3C2)c1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-13(8-16)11-25-7-5-18-15(12-25)9-14-10-23-6-4-17(14)24-18/h1-4,6,8-10H,5,7,11-12H2
InChIKeySKDQHJWVSDATCX-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (CID 24731662) is 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is FC(F)(F)c1cccc(CN2CCc3nc4ccncc4cc3C2)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The InChIKey is SKDQHJWVSDATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-13(8-16)11-25-7-5-18-15(12-25)9-14-10-23-6-4-17(14)24-18/h1-4,6,8-10H,5,7,11-12H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine has a molecular weight of 343.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 24731662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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