bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

C176H122F8N34O8 — CID 158430148

IUPACbis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESC=C1Cc2cc(-c3ccc(Cn4cnc5cnccc5c4=O)c(F)c3)ccc2N1.Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)c2c1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3cccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3nccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cccc3c2C=NC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3ccccn23)cc1F
InChIInChI=1S/2C23H17FN4O.4C22H15FN4O.2C21H14FN5O/c1-27-11-16-4-2-5-18(19(16)13-27)15-7-8-17(20(24)10-15)12-28-14-26-21-6-3-9-25-22(21)23(28)29;1-14-8-18-9-15(4-5-21(18)27-14)16-2-3-17(20(24)10-16)12-28-13-26-22-11-25-7-6-19(22)23(28)29;23-20-10-15(16-5-6-18-2-1-9-26(18)12-16)3-4-17(20)13-27-14-25-21-11-24-8-7-19(21)22(27)28;2*23-19-9-14(17-8-15-2-1-3-20(15)25-10-17)4-5-16(19)12-27-13-26-21-11-24-7-6-18(21)22(27)28;23-20-8-14(17-3-1-2-15-9-25-10-19(15)17)4-5-16(20)12-27-13-26-21-11-24-7-6-18(21)22(27)28;22-18-9-14(15-3-4-20-24-7-8-26(20)11-15)1-2-16(18)12-27-13-25-19-10-23-6-5-17(19)21(27)28;22-17-9-14(19-11-24-20-3-1-2-8-27(19)20)4-5-15(17)12-26-13-25-18-10-23-7-6-16(18)21(26)28/h2-11,13-14H,12H2,1H3;2-7,9-11,13,27H,1,8,12H2;1-12,14H,13H2;2*1-2,4-11,13H,3,12H2;1-8,10-11,13H,9,12H2;2*1-11,13H,12H2
InChIKeyHBOBHPPKMJXECP-UHFFFAOYSA-N
MW2993.13 g/mol
LogP29.55
Rot. Bonds24

About bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 158430148) has the molecular formula C176H122F8N34O8 and a molecular weight of 2993.13 g/mol. Its IUPAC name is bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Namebis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID158430148
Molecular FormulaC176H122F8N34O8
Molecular Weight2993.13 g/mol
Exact Mass2991.01
IUPAC Namebis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESC=C1Cc2cc(-c3ccc(Cn4cnc5cnccc5c4=O)c(F)c3)ccc2N1.Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)c2c1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3cccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3nccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cccc3c2C=NC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3ccccn23)cc1F
InChIInChI=1S/2C23H17FN4O.4C22H15FN4O.2C21H14FN5O/c1-27-11-16-4-2-5-18(19(16)13-27)15-7-8-17(20(24)10-15)12-28-14-26-21-6-3-9-25-22(21)23(28)29;1-14-8-18-9-15(4-5-21(18)27-14)16-2-3-17(20(24)10-16)12-28-13-26-22-11-25-7-6-19(22)23(28)29;23-20-10-15(16-5-6-18-2-1-9-26(18)12-16)3-4-17(20)13-27-14-25-21-11-24-8-7-19(21)22(27)28;2*23-19-9-14(17-8-15-2-1-3-20(15)25-10-17)4-5-16(19)12-27-13-26-21-11-24-7-6-18(21)22(27)28;23-20-8-14(17-3-1-2-15-9-25-10-19(15)17)4-5-16(20)12-27-13-26-21-11-24-7-6-18(21)22(27)28;22-18-9-14(15-3-4-20-24-7-8-26(20)11-15)1-2-16(18)12-27-13-25-19-10-23-6-5-17(19)21(27)28;22-17-9-14(19-11-24-20-3-1-2-8-27(19)20)4-5-15(17)12-26-13-25-18-10-23-7-6-16(18)21(26)28/h2-11,13-14H,12H2,1H3;2-7,9-11,13,27H,1,8,12H2;1-12,14H,13H2;2*1-2,4-11,13H,3,12H2;1-8,10-11,13H,9,12H2;2*1-11,13H,12H2
InChIKeyHBOBHPPKMJXECP-UHFFFAOYSA-N
XLogP29.55
TPSA476.35 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002993.13
LogP ≤ 529.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4-acetamido-N-[5-[[3-[[2-[[5-[[4-[[2-[[5-[[3-[[2-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]carbamoyl]-1-(3-pyren-1-ylprop-2-ynyl)pyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutyl]carbamoyl]-1-(3-pyren-1-ylprop-2-ynyl)pyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 44586458
4-acetamido-N-[2-[[5-[[5-[[(3R)-4-[[2-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxo-3-[3-(4-pyren-1-ylbutanoylamino)propanoylamino]butyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 71524562
4-acetamido-N-[2-[[5-[[5-[[(3R)-4-[[2-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxo-3-(4-pyren-1-ylbutanoylamino)butyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 71525258
N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[3-(4-pyren-1-ylbutanoylamino)propanoylamino]imidazole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide
CID 71716114
N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[3-[3-(4-pyren-1-ylbutanoylamino)propanoylamino]propanoylamino]imidazole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide
CID 71720366
4-[8-amino-3-[1-[4-[[1-[2-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]-3-(1-prop-2-enoylpiperidin-2-yl)imidazo[1,5-a]pyrazin-8-yl]amino]but-2-ynoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-fluoro-N-(4-propyl-2-pyridinyl)benzamide
CID 123146315
[4-[[2,6-Difluoro-3-[4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 123381278
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
[(3R,4R)-4-[[2,6-difluoro-3-[(3S,4S)-4-methyl-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidine-1-carbonyl]phenyl]methyl]-3-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 129131028
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564

Frequently Asked Questions

What is the IUPAC name of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 158430148) is bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is C=C1Cc2cc(-c3ccc(Cn4cnc5cnccc5c4=O)c(F)c3)ccc2N1.Cn1cc2cccc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)c2c1.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3cccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2ccc3nccn3c2)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cccc3c2C=NC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.O=c1c2ccncc2ncn1Cc1ccc(-c2cnc3ccccn23)cc1F.
What is the InChIKey of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is HBOBHPPKMJXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17FN4O.4C22H15FN4O.2C21H14FN5O/c1-27-11-16-4-2-5-18(19(16)13-27)15-7-8-17(20(24)10-15)12-28-14-26-21-6-3-9-25-22(21)23(28)29;1-14-8-18-9-15(4-5-21(18)27-14)16-2-3-17(20(24)10-16)12-28-13-26-22-11-25-7-6-19(22)23(28)29;23-20-10-15(16-5-6-18-2-1-9-26(18)12-16)3-4-17(20)13-27-14-25-21-11-24-8-7-19(21)22(27)28;2*23-19-9-14(17-8-15-2-1-3-20(15)25-10-17)4-5-16(19)12-27-13-26-21-11-24-7-6-18(21)22(27)28;23-20-8-14(17-3-1-2-15-9-25-10-19(15)17)4-5-16(20)12-27-13-26-21-11-24-7-6-18(21)22(27)28;22-18-9-14(15-3-4-20-24-7-8-26(20)11-15)1-2-16(18)12-27-13-25-19-10-23-6-5-17(19)21(27)28;22-17-9-14(19-11-24-20-3-1-2-8-27(19)20)4-5-15(17)12-26-13-25-18-10-23-7-6-16(18)21(26)28/h2-11,13-14H,12H2,1H3;2-7,9-11,13,27H,1,8,12H2;1-12,14H,13H2;2*1-2,4-11,13H,3,12H2;1-8,10-11,13H,9,12H2;2*1-11,13H,12H2.
What are the key properties of bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 2993.13 g/mol, XLogP of 29.55, 24 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158430148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).