1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane

C114H112F12N36O9S2 — CID 167600271

IUPAC1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane
SMILESC.C=C1CCc2cc(-c3ccc(-n4nnn(C/C(=C/F)CN)c4=O)c(F)c3)cc(C)c2N1.CCn1cc(-c2ccc(Cn3ccn(CC(CN)=C(F)F)c3=O)s2)cn1.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc(N4CCCCC4)nc3)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4c(c3)OCO4)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4nonc4c3)cc2F)c1=O.NCC(Cn1ccn(Cc2ccc(-c3ccn4ncnc4c3)s2)c1=O)=C(F)F
InChIInChI=1S/C22H22F2N6O.C21H23F2N7O.C18H16F2N6OS.C18H15F2N5O3.C17H13F2N7O2.C17H19F2N5OS.CH4/c1-13-7-18(8-17-4-3-14(2)26-21(13)17)16-5-6-20(19(24)9-16)30-22(31)29(27-28-30)12-15(10-23)11-25;22-11-15(12-24)14-29-21(31)30(27-26-29)19-6-4-16(10-18(19)23)17-5-7-20(25-13-17)28-8-2-1-3-9-28;19-17(20)13(8-21)9-24-5-6-25(18(24)27)10-14-1-2-15(28-14)12-3-4-26-16(7-12)22-11-23-26;19-7-11(8-21)9-24-18(26)25(23-22-24)15-3-1-12(5-14(15)20)13-2-4-16-17(6-13)28-10-27-16;18-7-10(8-20)9-25-17(27)26(24-23-25)16-4-2-11(5-13(16)19)12-1-3-14-15(6-12)22-28-21-14;1-2-24-10-13(8-21-24)15-4-3-14(26-15)11-23-6-5-22(17(23)25)9-12(7-20)16(18)19;/h5-10,26H,2-4,11-12,25H2,1H3;4-7,10-11,13H,1-3,8-9,12,14,24H2;1-7,11H,8-10,21H2;1-7H,8-10,21H2;1-7H,8-9,20H2;3-6,8,10H,2,7,9,11,20H2,1H3;1H4/b15-10+;15-11+;;11-7+;10-7+;;
InChIKeyJQALHRZNRXRBMM-SWPOEFQTSA-N
MW2422.50 g/mol
LogP14.99
Rot. Bonds34

About 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane

1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane (PubChem CID 167600271) has the molecular formula C114H112F12N36O9S2 and a molecular weight of 2422.50 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane
PubChem CID167600271
Molecular FormulaC114H112F12N36O9S2
Molecular Weight2422.50 g/mol
Exact Mass2420.87
IUPAC Name1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane
SMILESC.C=C1CCc2cc(-c3ccc(-n4nnn(C/C(=C/F)CN)c4=O)c(F)c3)cc(C)c2N1.CCn1cc(-c2ccc(Cn3ccn(CC(CN)=C(F)F)c3=O)s2)cn1.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc(N4CCCCC4)nc3)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4c(c3)OCO4)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4nonc4c3)cc2F)c1=O.NCC(Cn1ccn(Cc2ccc(-c3ccn4ncnc4c3)s2)c1=O)=C(F)F
InChIInChI=1S/C22H22F2N6O.C21H23F2N7O.C18H16F2N6OS.C18H15F2N5O3.C17H13F2N7O2.C17H19F2N5OS.CH4/c1-13-7-18(8-17-4-3-14(2)26-21(13)17)16-5-6-20(19(24)9-16)30-22(31)29(27-28-30)12-15(10-23)11-25;22-11-15(12-24)14-29-21(31)30(27-26-29)19-6-4-16(10-18(19)23)17-5-7-20(25-13-17)28-8-2-1-3-9-28;19-17(20)13(8-21)9-24-5-6-25(18(24)27)10-14-1-2-15(28-14)12-3-4-26-16(7-12)22-11-23-26;19-7-11(8-21)9-24-18(26)25(23-22-24)15-3-1-12(5-14(15)20)13-2-4-16-17(6-13)28-10-27-16;18-7-10(8-20)9-25-17(27)26(24-23-25)16-4-2-11(5-13(16)19)12-1-3-14-15(6-12)22-28-21-14;1-2-24-10-13(8-21-24)15-4-3-14(26-15)11-23-6-5-22(17(23)25)9-12(7-20)16(18)19;/h5-10,26H,2-4,11-12,25H2,1H3;4-7,10-11,13H,1-3,8-9,12,14,24H2;1-7,11H,8-10,21H2;1-7H,8-10,21H2;1-7H,8-9,20H2;3-6,8,10H,2,7,9,11,20H2,1H3;1H4/b15-10+;15-11+;;11-7+;10-7+;;
InChIKeyJQALHRZNRXRBMM-SWPOEFQTSA-N
XLogP14.99
TPSA554.37 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.50
LogP ≤ 514.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane with MolForge

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Related Compounds

2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2,6-dimethyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;6,8-dimethyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-methoxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-chromene;6-methyl-5-propan-2-yl-3,4-dihydro-1H-isochromene;6-methyl-5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-methyl-5-propan-2-ylquinazoline;6-methyl-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;4-propan-2-ylpyrazolo[1,5-a]pyridine
CID 161253881
3-butyl-4-propan-2-yl-1,2,5-oxadiazole;1,2-dimethyl-3-propan-2-ylbenzene;2,3-dimethyl-5-propan-2-yl-1H-indole;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;methane;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;1-methyl-3-propan-2-yl-2H-benzimidazole;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 162270137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane?
The IUPAC name of 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane (CID 167600271) is 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane?
The canonical SMILES for 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane is C.C=C1CCc2cc(-c3ccc(-n4nnn(C/C(=C/F)CN)c4=O)c(F)c3)cc(C)c2N1.CCn1cc(-c2ccc(Cn3ccn(CC(CN)=C(F)F)c3=O)s2)cn1.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc(N4CCCCC4)nc3)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4c(c3)OCO4)cc2F)c1=O.NC/C(=C\F)Cn1nnn(-c2ccc(-c3ccc4nonc4c3)cc2F)c1=O.NCC(Cn1ccn(Cc2ccc(-c3ccn4ncnc4c3)s2)c1=O)=C(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane?
The InChIKey is JQALHRZNRXRBMM-SWPOEFQTSA-N. The full InChI is InChI=1S/C22H22F2N6O.C21H23F2N7O.C18H16F2N6OS.C18H15F2N5O3.C17H13F2N7O2.C17H19F2N5OS.CH4/c1-13-7-18(8-17-4-3-14(2)26-21(13)17)16-5-6-20(19(24)9-16)30-22(31)29(27-28-30)12-15(10-23)11-25;22-11-15(12-24)14-29-21(31)30(27-26-29)19-6-4-16(10-18(19)23)17-5-7-20(25-13-17)28-8-2-1-3-9-28;19-17(20)13(8-21)9-24-5-6-25(18(24)27)10-14-1-2-15(28-14)12-3-4-26-16(7-12)22-11-23-26;19-7-11(8-21)9-24-18(26)25(23-22-24)15-3-1-12(5-14(15)20)13-2-4-16-17(6-13)28-10-27-16;18-7-10(8-20)9-25-17(27)26(24-23-25)16-4-2-11(5-13(16)19)12-1-3-14-15(6-12)22-28-21-14;1-2-24-10-13(8-21-24)15-4-3-14(26-15)11-23-6-5-22(17(23)25)9-12(7-20)16(18)19;/h5-10,26H,2-4,11-12,25H2,1H3;4-7,10-11,13H,1-3,8-9,12,14,24H2;1-7,11H,8-10,21H2;1-7H,8-10,21H2;1-7H,8-9,20H2;3-6,8,10H,2,7,9,11,20H2,1H3;1H4/b15-10+;15-11+;;11-7+;10-7+;;.
What are the key properties of 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane?
1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane has a molecular weight of 2422.50 g/mol, XLogP of 14.99, 34 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-(1-ethylpyrazol-4-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-3-[[5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)thiophen-2-yl]methyl]imidazol-2-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(1,3-benzodioxol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[4-(2,1,3-benzoxadiazol-5-yl)-2-fluorophenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(8-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)phenyl]tetrazol-5-one;1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-4-[2-fluoro-4-(6-piperidin-1-yl-3-pyridinyl)phenyl]tetrazol-5-one;methane is sourced from PubChem (CID 167600271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).