4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

C108H89F10N23O8 — CID 158248927

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
InChIInChI=1S/C22H18F3N5O2.C22H17F3N4O.C22H20N4O2.C21H16F3N5O.C21H18FN5O2/c23-22(24,25)19-2-1-14(11-27-19)13-32-16-5-8-29(21(31)10-16)15-4-7-30-18-12-26-6-3-17(18)28-20(30)9-15;23-22(24,25)16-3-1-14(2-4-16)15-6-9-28(21(30)11-15)17-7-10-29-19-13-26-8-5-18(19)27-20(29)12-17;27-22-13-18(28-15-16-4-2-1-3-5-16)8-11-25(22)17-7-10-26-20-14-23-9-6-19(20)24-21(26)12-17;22-21(23,24)18-2-1-14(11-26-18)13-4-7-28(20(30)9-13)15-5-8-29-17-12-25-6-3-16(17)27-19(29)10-15;22-14-1-2-15(24-11-14)13-29-17-5-8-26(21(28)10-17)16-4-7-27-19-12-23-6-3-18(19)25-20(27)9-16/h1-2,4-5,7-11,26H,3,6,12-13H2;1-4,6-7,9-12,26H,5,8,13H2;1-5,7-8,10-13,23H,6,9,14-15H2;1-2,4-5,7-11,25H,3,6,12H2;1-2,4-5,7-11,23H,3,6,12-13H2
InChIKeyGGLWTMCAXFMDQW-UHFFFAOYSA-N
MW2027.03 g/mol
LogP15.11
Rot. Bonds16

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (PubChem CID 158248927) has the molecular formula C108H89F10N23O8 and a molecular weight of 2027.03 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
PubChem CID158248927
Molecular FormulaC108H89F10N23O8
Molecular Weight2027.03 g/mol
Exact Mass2025.71
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
InChIInChI=1S/C22H18F3N5O2.C22H17F3N4O.C22H20N4O2.C21H16F3N5O.C21H18FN5O2/c23-22(24,25)19-2-1-14(11-27-19)13-32-16-5-8-29(21(31)10-16)15-4-7-30-18-12-26-6-3-17(18)28-20(30)9-15;23-22(24,25)16-3-1-14(2-4-16)15-6-9-28(21(30)11-15)17-7-10-29-19-13-26-8-5-18(19)27-20(29)12-17;27-22-13-18(28-15-16-4-2-1-3-5-16)8-11-25(22)17-7-10-26-20-14-23-9-6-19(20)24-21(26)12-17;22-21(23,24)18-2-1-14(11-26-18)13-4-7-28(20(30)9-13)15-5-8-29-17-12-25-6-3-16(17)27-19(29)10-15;22-14-1-2-15(24-11-14)13-29-17-5-8-26(21(28)10-17)16-4-7-27-19-12-23-6-3-18(19)25-20(27)9-16/h1-2,4-5,7-11,26H,3,6,12-13H2;1-4,6-7,9-12,26H,5,8,13H2;1-5,7-8,10-13,23H,6,9,14-15H2;1-2,4-5,7-11,25H,3,6,12H2;1-2,4-5,7-11,23H,3,6,12-13H2
InChIKeyGGLWTMCAXFMDQW-UHFFFAOYSA-N
XLogP15.11
TPSA323.01 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002027.03
LogP ≤ 515.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Acetyl-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one;1-(4-acetyl-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 157272639
1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 157460563
1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157567699
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157643541
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;5-[3-(ethoxymethyl)imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 157739853
2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534
4-[(2,4-Difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 158100055
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 158171983
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)pyridin-2-one;methane;4-phenylmethoxy-1-(4-propan-2-yl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)pyridin-2-one;1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
CID 158209445
N-(1-cyclopropylethyl)-2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158604275
1-[(2S)-2-[8-amino-1-[4-[(4-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 158757291
6,6-dimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-[6-methyl-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[4-(2,7-dimethyl-9-morpholin-4-yl-5-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-11-yl)phenyl]-3-ethylurea;2-(2,4-dimethylpyrimidin-5-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydro-7H-purino[8,9-b][1,3]oxazine
CID 159284917

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (CID 158248927) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3.O=c1cc(OCc2ccccc2)ccn1-c1ccn2c3c(nc2c1)CCNC3.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is GGLWTMCAXFMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C22H17F3N4O.C22H20N4O2.C21H16F3N5O.C21H18FN5O2/c23-22(24,25)19-2-1-14(11-27-19)13-32-16-5-8-29(21(31)10-16)15-4-7-30-18-12-26-6-3-17(18)28-20(30)9-15;23-22(24,25)16-3-1-14(2-4-16)15-6-9-28(21(30)11-15)17-7-10-29-19-13-26-8-5-18(19)27-20(29)12-17;27-22-13-18(28-15-16-4-2-1-3-5-16)8-11-25(22)17-7-10-26-20-14-23-9-6-19(20)24-21(26)12-17;22-21(23,24)18-2-1-14(11-26-18)13-4-7-28(20(30)9-13)15-5-8-29-17-12-25-6-3-16(17)27-19(29)10-15;22-14-1-2-15(24-11-14)13-29-17-5-8-26(21(28)10-17)16-4-7-27-19-12-23-6-3-18(19)25-20(27)9-16/h1-2,4-5,7-11,26H,3,6,12-13H2;1-4,6-7,9-12,26H,5,8,13H2;1-5,7-8,10-13,23H,6,9,14-15H2;1-2,4-5,7-11,25H,3,6,12H2;1-2,4-5,7-11,23H,3,6,12-13H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 2027.03 g/mol, XLogP of 15.11, 16 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;4-phenylmethoxy-1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 158248927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).