formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C25H28F3N5O2 — CID 162044922

IUPACformaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESC=O.Cc1cc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C24H26F3N5O.CH2O/c1-15-12-16(13-18-21(15)22-17(23(33)29-18)4-3-7-28-22)14-31-8-10-32(11-9-31)20-6-2-5-19(30-20)24(25,26)27;1-2/h2,5-6,12-13,28H,3-4,7-11,14H2,1H3,(H,29,33);1H2
InChIKeyYXTMGSMHGZCSNF-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.75
Rot. Bonds3

About formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 162044922) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Nameformaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID162044922
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Nameformaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESC=O.Cc1cc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C24H26F3N5O.CH2O/c1-15-12-16(13-18-21(15)22-17(23(33)29-18)4-3-7-28-22)14-31-8-10-32(11-9-31)20-6-2-5-19(30-20)24(25,26)27;1-2/h2,5-6,12-13,28H,3-4,7-11,14H2,1H3,(H,29,33);1H2
InChIKeyYXTMGSMHGZCSNF-UHFFFAOYSA-N
XLogP3.75
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

8-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-10-methyl-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595845
3-chloro-4-[4-[(10-methyl-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzonitrile;formaldehyde
CID 161349258
8-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595879
10-ethoxy-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134586984
8-[[4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methyl]-10-methyl-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595880
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133452314
5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 50948434
2-fluoro-4-[4-[[10-(hydroxymethyl)-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl]methyl]piperazin-1-yl]benzonitrile
CID 134595876
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 164916943
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
8-[[4-[4-methyl-3-(2-methylidenehydrazinyl)phenyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 145204389
10-(2-methoxyethoxy)-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424904

Frequently Asked Questions

What is the IUPAC name of formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 162044922) is formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is C=O.Cc1cc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is YXTMGSMHGZCSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O.CH2O/c1-15-12-16(13-18-21(15)22-17(23(33)29-18)4-3-7-28-22)14-31-8-10-32(11-9-31)20-6-2-5-19(30-20)24(25,26)27;1-2/h2,5-6,12-13,28H,3-4,7-11,14H2,1H3,(H,29,33);1H2.
What are the key properties of formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 487.53 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;10-methyl-8-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 162044922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).