5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile

C23H14F3N7O — CID 71572570

IUPAC5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
SMILESCN1Cc2cnc3cccnc3c2N(c2ccc(-c3cnc(C#N)nc3)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C23H14F3N7O/c1-32-12-14-11-29-18-3-2-6-28-20(18)21(14)33(22(32)34)15-4-5-16(17(7-15)23(24,25)26)13-9-30-19(8-27)31-10-13/h2-7,9-11H,12H2,1H3
InChIKeyZTDOTQORLAMKJE-UHFFFAOYSA-N
MW461.41 g/mol
LogP4.68
Rot. Bonds2

About 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile

5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile (PubChem CID 71572570) has the molecular formula C23H14F3N7O and a molecular weight of 461.41 g/mol. Its IUPAC name is 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
PubChem CID71572570
Molecular FormulaC23H14F3N7O
Molecular Weight461.41 g/mol
Exact Mass461.12
IUPAC Name5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
SMILESCN1Cc2cnc3cccnc3c2N(c2ccc(-c3cnc(C#N)nc3)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C23H14F3N7O/c1-32-12-14-11-29-18-3-2-6-28-20(18)21(14)33(22(32)34)15-4-5-16(17(7-15)23(24,25)26)13-9-30-19(8-27)31-10-13/h2-7,9-11H,12H2,1H3
InChIKeyZTDOTQORLAMKJE-UHFFFAOYSA-N
XLogP4.68
TPSA98.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572241
9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 123137124
3-methyl-9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71573047
9-(6-amino-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572352
5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile
CID 121306629
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
4-(3,3,4,4-tetramethyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 18409445
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 67016587
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-fluoro-6-methyl-10-(2-methyl-3-pyridinyl)-7H-pyrido[2,3-d][2]benzazepin-5-one
CID 142469559
4-[3-(2-fluoroethyl)-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 173274431

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile (CID 71572570) is 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile is CN1Cc2cnc3cccnc3c2N(c2ccc(-c3cnc(C#N)nc3)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile?
The InChIKey is ZTDOTQORLAMKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N7O/c1-32-12-14-11-29-18-3-2-6-28-20(18)21(14)33(22(32)34)15-4-5-16(17(7-15)23(24,25)26)13-9-30-19(8-27)31-10-13/h2-7,9-11H,12H2,1H3.
What are the key properties of 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile?
5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile has a molecular weight of 461.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 71572570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).