9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C23H17F3N6O — CID 71528752

IUPAC9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C23H17F3N6O/c1-31-12-14-11-28-18-7-6-17(13-5-8-19(27)29-10-13)30-20(18)21(14)32(22(31)33)16-4-2-3-15(9-16)23(24,25)26/h2-11H,12H2,1H3,(H2,27,29)
InChIKeyHZGZOVZQRGKICN-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.00
Rot. Bonds2

About 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 71528752) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID71528752
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C23H17F3N6O/c1-31-12-14-11-28-18-7-6-17(13-5-8-19(27)29-10-13)30-20(18)21(14)32(22(31)33)16-4-2-3-15(9-16)23(24,25)26/h2-11H,12H2,1H3,(H2,27,29)
InChIKeyHZGZOVZQRGKICN-UHFFFAOYSA-N
XLogP5.00
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 71528752) is 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3ccc(-c4ccc(N)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is HZGZOVZQRGKICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-31-12-14-11-28-18-7-6-17(13-5-8-19(27)29-10-13)30-20(18)21(14)32(22(31)33)16-4-2-3-15(9-16)23(24,25)26/h2-11H,12H2,1H3,(H2,27,29).
What are the key properties of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 450.42 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 71528752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).