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

C24H18F3N5O2 — CID 71572241

IUPAC1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3cccnc3c2N(c2ccc(-c3ccc(CO)nc3)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H18F3N5O2/c1-31-12-15-11-30-20-3-2-8-28-21(20)22(15)32(23(31)34)17-6-7-18(19(9-17)24(25,26)27)14-4-5-16(13-33)29-10-14/h2-11,33H,12-13H2,1H3
InChIKeyUGXMJLRCQZYMPJ-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.91
Rot. Bonds3

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

1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 71572241) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID71572241
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCN1Cc2cnc3cccnc3c2N(c2ccc(-c3ccc(CO)nc3)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C24H18F3N5O2/c1-31-12-15-11-30-20-3-2-8-28-21(20)22(15)32(23(31)34)17-6-7-18(19(9-17)24(25,26)27)14-4-5-16(13-33)29-10-14/h2-11,33H,12-13H2,1H3
InChIKeyUGXMJLRCQZYMPJ-UHFFFAOYSA-N
XLogP4.91
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 71572570
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
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
2-[4-[9-(6-amino-3-pyridinyl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-[4-[9-(6-isocyano-3-pyridinyl)-3-methyl-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile;2-methyl-2-[4-[3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-9-(6-methylsulfonyl-3-pyridinyl)-2-oxo-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile;2-methyl-2-[4-[3-methyl-2-oxo-9-[6-(2-oxopropyl)-3-pyridinyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 159912046
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
[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
CID 131866305
5-[5-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmethyl]-3-pyridinyl]thiophen-2-yl]-2-methyl-3H-isoindol-1-one
CID 148774360
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
CID 172651572
N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide
CID 73297197
1-[4-(2-phenylphenyl)-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 67016587
4-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-2,3-dihydropyrido[2,3-e][1,4]diazepin-5-one
CID 166844019

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 71572241) is 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3cccnc3c2N(c2ccc(-c3ccc(CO)nc3)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is UGXMJLRCQZYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-31-12-15-11-30-20-3-2-8-28-21(20)22(15)32(23(31)34)17-6-7-18(19(9-17)24(25,26)27)14-4-5-16(13-33)29-10-14/h2-11,33H,12-13H2,1H3.
What are the key properties of 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 465.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(hydroxymethyl)-3-pyridinyl]-3-(trifluoromethyl)phenyl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 71572241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).