5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one

C20H15F3N4O — CID 58155038

IUPAC5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Nc3cc(Nc4ccccn4)c(C(F)(F)F)cn3)cc2C1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)16-11-25-19(10-17(16)27-18-3-1-2-6-24-18)26-14-5-4-12-8-15(28)9-13(12)7-14/h1-7,10-11H,8-9H2,(H2,24,25,26,27)
InChIKeyFKUDKXNSAHKISN-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.65
Rot. Bonds4

About 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one

5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one (PubChem CID 58155038) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
PubChem CID58155038
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(Nc3cc(Nc4ccccn4)c(C(F)(F)F)cn3)cc2C1
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)16-11-25-19(10-17(16)27-18-3-1-2-6-24-18)26-14-5-4-12-8-15(28)9-13(12)7-14/h1-7,10-11H,8-9H2,(H2,24,25,26,27)
InChIKeyFKUDKXNSAHKISN-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one with MolForge

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Related Compounds

N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 58155051
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
CID 117075580
4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 117075707
6-[[4-[(1-methyl-2H-pyridin-3-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroindol-2-one
CID 141220625
5-amino-1,3-dihydroinden-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide;5-fluoro-N-methyl-2-[[2-[(2-oxo-1,3-dihydroindol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157226376
5-fluoro-N-methyl-2-[[2-[(6-methylidene-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 58154959
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide;N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157080428
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 2097688
2-[[2-[4-(2-oxopyrrolidin-1-yl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfinate
CID 145477978
7-methyl-4-[3-(pyridin-2-ylamino)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 118586682
5,6-bis(pyridin-2-ylamino)isoindole-1,3-dione
CID 22918438

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one (CID 58155038) is 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one is O=C1Cc2ccc(Nc3cc(Nc4ccccn4)c(C(F)(F)F)cn3)cc2C1.
What is the InChIKey of 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one?
The InChIKey is FKUDKXNSAHKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)16-11-25-19(10-17(16)27-18-3-1-2-6-24-18)26-14-5-4-12-8-15(28)9-13(12)7-14/h1-7,10-11H,8-9H2,(H2,24,25,26,27).
What are the key properties of 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one?
5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one has a molecular weight of 384.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one is sourced from PubChem (CID 58155038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).