1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine

C24H24F3N3O2 — CID 14072013

IUPAC1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
SMILESCC(C)Oc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2
InChIInChI=1S/C24H24F3N3O2/c1-13(2)31-22-20-17(9-11-28-22)30-18-10-12-29-23(32-14(3)4)21(18)19(20)15-7-5-6-8-16(15)24(25,26)27/h5-14,19,30H,1-4H3
InChIKeyBFXWACDOZJLIMB-UHFFFAOYSA-N
MW443.47 g/mol
LogP6.31
Rot. Bonds5

About 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine

1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine (PubChem CID 14072013) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
PubChem CID14072013
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine
SMILESCC(C)Oc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2
InChIInChI=1S/C24H24F3N3O2/c1-13(2)31-22-20-17(9-11-28-22)30-18-10-12-29-23(32-14(3)4)21(18)19(20)15-7-5-6-8-16(15)24(25,26)27/h5-14,19,30H,1-4H3
InChIKeyBFXWACDOZJLIMB-UHFFFAOYSA-N
XLogP6.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine (CID 14072013) is 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine is CC(C)Oc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2.
What is the InChIKey of 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
The InChIKey is BFXWACDOZJLIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-13(2)31-22-20-17(9-11-28-22)30-18-10-12-29-23(32-14(3)4)21(18)19(20)15-7-5-6-8-16(15)24(25,26)27/h5-14,19,30H,1-4H3.
What are the key properties of 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine?
1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine has a molecular weight of 443.47 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-di(propan-2-yloxy)-10-[2-(trifluoromethyl)phenyl]-5,10-dihydropyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 14072013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).