5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one

C19H10F6N6O — CID 59762761

IUPAC5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)[nH]1
InChIInChI=1S/C19H10F6N6O/c20-18(21,22)9-1-4-14(27-7-9)29-12-5-6-26-16-10(12)2-3-13(30-16)15-11(19(23,24)25)8-28-17(32)31-15/h1-8H,(H,28,31,32)(H,26,27,29,30)
InChIKeyOJLUTPBBAPFWDN-UHFFFAOYSA-N
MW452.32 g/mol
LogP4.56
Rot. Bonds3

About 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one

5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one (PubChem CID 59762761) has the molecular formula C19H10F6N6O and a molecular weight of 452.32 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one
PubChem CID59762761
Molecular FormulaC19H10F6N6O
Molecular Weight452.32 g/mol
Exact Mass452.08
IUPAC Name5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)[nH]1
InChIInChI=1S/C19H10F6N6O/c20-18(21,22)9-1-4-14(27-7-9)29-12-5-6-26-16-10(12)2-3-13(30-16)15-11(19(23,24)25)8-28-17(32)31-15/h1-8H,(H,28,31,32)(H,26,27,29,30)
InChIKeyOJLUTPBBAPFWDN-UHFFFAOYSA-N
XLogP4.56
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-chloro-1,2,5-thiadiazol-3-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 59705056
2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
CID 87303490
5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
CID 58645766
3-[6-(propan-2-ylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645679
6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 143215454
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
CID 58645777
7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
CID 59705064
3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645503
3-[6-(propylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645627
3-[6-[ethyl(propan-2-yl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645599
7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 143270366

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one (CID 59762761) is 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one is O=c1ncc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is OJLUTPBBAPFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N6O/c20-18(21,22)9-1-4-14(27-7-9)29-12-5-6-26-16-10(12)2-3-13(30-16)15-11(19(23,24)25)8-28-17(32)31-15/h1-8H,(H,28,31,32)(H,26,27,29,30).
What are the key properties of 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one?
5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 452.32 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 59762761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).