2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one

C66H55F9N6O5 — CID 162221194

IUPAC2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one
SMILESCC(=O)Oc1c(C)c(-c2ccc(N3CCC(F)(F)C3)cc2)nc2cc(F)cc(F)c12.Cc1c(-c2ccc(N3CCC(F)(F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O.Cc1ccc2nc(C)c(C(=O)CCc3ccc(Oc4ccc(F)cc4)cc3)n2c1
InChIInChI=1S/C24H21FN2O2.C22H18F4N2O2.C20H16F4N2O/c1-16-3-14-23-26-17(2)24(27(23)15-16)22(28)13-6-18-4-9-20(10-5-18)29-21-11-7-19(25)8-12-21;1-12-20(14-3-5-16(6-4-14)28-8-7-22(25,26)11-28)27-18-10-15(23)9-17(24)19(18)21(12)30-13(2)29;1-11-18(25-16-9-13(21)8-15(22)17(16)19(11)27)12-2-4-14(5-3-12)26-7-6-20(23,24)10-26/h3-5,7-12,14-15H,6,13H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3;2-5,8-9H,6-7,10H2,1H3,(H,25,27)
InChIKeyZUDKGXVYDXFQGC-UHFFFAOYSA-N
MW1183.18 g/mol
LogP15.58
Rot. Bonds11

About 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one

2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one (PubChem CID 162221194) has the molecular formula C66H55F9N6O5 and a molecular weight of 1183.18 g/mol. Its IUPAC name is 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one
PubChem CID162221194
Molecular FormulaC66H55F9N6O5
Molecular Weight1183.18 g/mol
Exact Mass1182.41
IUPAC Name2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one
SMILESCC(=O)Oc1c(C)c(-c2ccc(N3CCC(F)(F)C3)cc2)nc2cc(F)cc(F)c12.Cc1c(-c2ccc(N3CCC(F)(F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O.Cc1ccc2nc(C)c(C(=O)CCc3ccc(Oc4ccc(F)cc4)cc3)n2c1
InChIInChI=1S/C24H21FN2O2.C22H18F4N2O2.C20H16F4N2O/c1-16-3-14-23-26-17(2)24(27(23)15-16)22(28)13-6-18-4-9-20(10-5-18)29-21-11-7-19(25)8-12-21;1-12-20(14-3-5-16(6-4-14)28-8-7-22(25,26)11-28)27-18-10-15(23)9-17(24)19(18)21(12)30-13(2)29;1-11-18(25-16-9-13(21)8-15(22)17(16)19(11)27)12-2-4-14(5-3-12)26-7-6-20(23,24)10-26/h3-5,7-12,14-15H,6,13H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3;2-5,8-9H,6-7,10H2,1H3,(H,25,27)
InChIKeyZUDKGXVYDXFQGC-UHFFFAOYSA-N
XLogP15.58
TPSA122.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.18
LogP ≤ 515.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one with MolForge

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Related Compounds

(Z)-1-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(quinolin-3-ylamino)prop-2-en-1-one
CID 145987260
3-Methyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435884
3-Butyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435889
3-Propan-2-yl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435891
3-Benzyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435894
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(cyclohexylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155531454
N-[[3-fluoro-4-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]phenyl]methyl]-2,7-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 163202224
[4-[8-Amino-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 137372658
4-Amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-quinolin-6-ylbutan-1-one
CID 147394429
4-Amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-quinolin-6-ylbutan-1-one
CID 149031208
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158415321
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-[6-(trifluoromethyl)quinolin-4-yl]ethanone
CID 159573510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one?
The IUPAC name of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one (CID 162221194) is 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one is CC(=O)Oc1c(C)c(-c2ccc(N3CCC(F)(F)C3)cc2)nc2cc(F)cc(F)c12.Cc1c(-c2ccc(N3CCC(F)(F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O.Cc1ccc2nc(C)c(C(=O)CCc3ccc(Oc4ccc(F)cc4)cc3)n2c1.
What is the InChIKey of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one?
The InChIKey is ZUDKGXVYDXFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2.C22H18F4N2O2.C20H16F4N2O/c1-16-3-14-23-26-17(2)24(27(23)15-16)22(28)13-6-18-4-9-20(10-5-18)29-21-11-7-19(25)8-12-21;1-12-20(14-3-5-16(6-4-14)28-8-7-22(25,26)11-28)27-18-10-15(23)9-17(24)19(18)21(12)30-13(2)29;1-11-18(25-16-9-13(21)8-15(22)17(16)19(11)27)12-2-4-14(5-3-12)26-7-6-20(23,24)10-26/h3-5,7-12,14-15H,6,13H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3;2-5,8-9H,6-7,10H2,1H3,(H,25,27).
What are the key properties of 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one?
2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one has a molecular weight of 1183.18 g/mol, XLogP of 15.58, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one;[2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-5,7-difluoro-3-methylquinolin-4-yl] acetate;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(4-fluorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 162221194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).