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

C19H16F3N3 — CID 24731662

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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Related Compounds

2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731661
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731665
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 4245605
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142951
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913972
7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267923
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531357
2-(pyridine-3-carbonyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 133078512
2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517932
4-[2-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]phenol
CID 137299117
2-(dimethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665774

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).