8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

C30H24F2N2O2 — CID 174170867

IUPAC8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc([C@@H](C)Nc2cccnc2-c2c(F)cccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H24F2N2O2/c1-17-15-21(30-22(16-17)28(35)18(2)29(36-30)20-9-5-4-6-10-20)19(3)34-25-13-8-14-33-27(25)26-23(31)11-7-12-24(26)32/h4-16,19,34H,1-3H3/t19-/m1/s1
InChIKeyJBVMUNNJILIACJ-LJQANCHMSA-N
MW482.53 g/mol
LogP7.59
Rot. Bonds5

About 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 174170867) has the molecular formula C30H24F2N2O2 and a molecular weight of 482.53 g/mol. Its IUPAC name is 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
PubChem CID174170867
Molecular FormulaC30H24F2N2O2
Molecular Weight482.53 g/mol
Exact Mass482.18
IUPAC Name8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc([C@@H](C)Nc2cccnc2-c2c(F)cccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H24F2N2O2/c1-17-15-21(30-22(16-17)28(35)18(2)29(36-30)20-9-5-4-6-10-20)19(3)34-25-13-8-14-33-27(25)26-23(31)11-7-12-24(26)32/h4-16,19,34H,1-3H3/t19-/m1/s1
InChIKeyJBVMUNNJILIACJ-LJQANCHMSA-N
XLogP7.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one with MolForge

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Related Compounds

8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
8-[1-[2-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluoroanilino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270667
3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
CID 169270828
3-[2-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-6-fluorophenyl]-4H-1,2,4-oxadiazol-5-one
CID 169269465
8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
CID 169269754
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
CID 174166887
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (CID 174170867) is 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc([C@@H](C)Nc2cccnc2-c2c(F)cccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The InChIKey is JBVMUNNJILIACJ-LJQANCHMSA-N. The full InChI is InChI=1S/C30H24F2N2O2/c1-17-15-21(30-22(16-17)28(35)18(2)29(36-30)20-9-5-4-6-10-20)19(3)34-25-13-8-14-33-27(25)26-23(31)11-7-12-24(26)32/h4-16,19,34H,1-3H3/t19-/m1/s1.
What are the key properties of 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 482.53 g/mol, XLogP of 7.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 174170867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).