6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

C27H23F3N4O — CID 52932614

IUPAC6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1cccc(COc2ccc(-c3ncccc3N3CCc4ncc(C(F)(F)F)cc4C3)cc2)n1
InChIInChI=1S/C27H23F3N4O/c1-18-4-2-5-22(33-18)17-35-23-9-7-19(8-10-23)26-25(6-3-12-31-26)34-13-11-24-20(16-34)14-21(15-32-24)27(28,29)30/h2-10,12,14-15H,11,13,16-17H2,1H3
InChIKeyWAMVQPDSGHLDKQ-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.01
Rot. Bonds5

About 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 52932614) has the molecular formula C27H23F3N4O and a molecular weight of 476.50 g/mol. Its IUPAC name is 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID52932614
Molecular FormulaC27H23F3N4O
Molecular Weight476.50 g/mol
Exact Mass476.18
IUPAC Name6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1cccc(COc2ccc(-c3ncccc3N3CCc4ncc(C(F)(F)F)cc4C3)cc2)n1
InChIInChI=1S/C27H23F3N4O/c1-18-4-2-5-22(33-18)17-35-23-9-7-19(8-10-23)26-25(6-3-12-31-26)34-13-11-24-20(16-34)14-21(15-32-24)27(28,29)30/h2-10,12,14-15H,11,13,16-17H2,1H3
InChIKeyWAMVQPDSGHLDKQ-UHFFFAOYSA-N
XLogP6.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 52932614) is 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is Cc1cccc(COc2ccc(-c3ncccc3N3CCc4ncc(C(F)(F)F)cc4C3)cc2)n1.
What is the InChIKey of 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is WAMVQPDSGHLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O/c1-18-4-2-5-22(33-18)17-35-23-9-7-19(8-10-23)26-25(6-3-12-31-26)34-13-11-24-20(16-34)14-21(15-32-24)27(28,29)30/h2-10,12,14-15H,11,13,16-17H2,1H3.
What are the key properties of 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 476.50 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]-3-pyridinyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 52932614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).