2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol

C24H17F3N4O2 — CID 90097262

IUPAC2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol
SMILESCOc1cncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(O)C=C4)c1
InChIInChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,21,32H,1H3
InChIKeySHGWBRYGBKDQAM-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.20
Rot. Bonds3

About 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol

2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol (PubChem CID 90097262) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol
PubChem CID90097262
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol
SMILESCOc1cncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(O)C=C4)c1
InChIInChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,21,32H,1H3
InChIKeySHGWBRYGBKDQAM-UHFFFAOYSA-N
XLogP5.20
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol (CID 90097262) is 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol is COc1cncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(O)C=C4)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol?
The InChIKey is SHGWBRYGBKDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,21,32H,1H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol?
2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol has a molecular weight of 450.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,2-c][1,5]naphthyridin-9-ol is sourced from PubChem (CID 90097262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).