bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

C144H157Cl5F10N35O8P35 — CID 161013960

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccc(F)cc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccncc2Cl)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C25H22ClFN6O2.2C24H19ClF2N6O.C24H22ClFN4O2.C24H19F3N6O.C23H19ClFN7O.H37P35/c1-32-22(13-19(14-34)31-32)30-21-11-15(4-7-28-21)18-9-16-5-8-33(24(16)20(27)10-18)23(35)12-17-3-2-6-29-25(17)26;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(26)2-3-18(15)25;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-15-6-9-33(23(15)19(27)11-16)22(34)12-14-2-3-17(26)13-18(14)25;25-24-16(2-1-5-28-24)11-22(32)30-7-4-15-8-17(9-20(26)23(15)30)14-3-6-27-21(10-14)29-18-12-19(31)13-18;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26;1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)16-10-15-5-9-32(22(15)18(25)11-16)21(33)12-14-2-6-26-13-17(14)24;1-19-28(18)33(29(20(2)3)21(4)5)35(32(26(14)15)27(16)17)34(30(22(6)7)23(8)9)31(24(10)11)25(12)13/h2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-5,7-8,10-11,13H,6,9,12H2,1H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30);19H,1-18H2
InChIKeyTXMDSJVTDYGPBV-UHFFFAOYSA-N
MW3957.41 g/mol
LogP45.76
Rot. Bonds47

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 161013960) has the molecular formula C144H157Cl5F10N35O8P35 and a molecular weight of 3957.41 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID161013960
Molecular FormulaC144H157Cl5F10N35O8P35
Molecular Weight3957.41 g/mol
Exact Mass3953.21
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccc(F)cc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccncc2Cl)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C25H22ClFN6O2.2C24H19ClF2N6O.C24H22ClFN4O2.C24H19F3N6O.C23H19ClFN7O.H37P35/c1-32-22(13-19(14-34)31-32)30-21-11-15(4-7-28-21)18-9-16-5-8-33(24(16)20(27)10-18)23(35)12-17-3-2-6-29-25(17)26;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(26)2-3-18(15)25;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-15-6-9-33(23(15)19(27)11-16)22(34)12-14-2-3-17(26)13-18(14)25;25-24-16(2-1-5-28-24)11-22(32)30-7-4-15-8-17(9-20(26)23(15)30)14-3-6-27-21(10-14)29-18-12-19(31)13-18;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26;1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)16-10-15-5-9-32(22(15)18(25)11-16)21(33)12-14-2-6-26-13-17(14)24;1-19-28(18)33(29(20(2)3)21(4)5)35(32(26(14)15)27(16)17)34(30(22(6)7)23(8)9)31(24(10)11)25(12)13/h2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-5,7-8,10-11,13H,6,9,12H2,1H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30);19H,1-18H2
InChIKeyTXMDSJVTDYGPBV-UHFFFAOYSA-N
XLogP45.76
TPSA491.17 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003957.41
LogP ≤ 545.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 161013960) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccc(F)cc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccncc2Cl)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is TXMDSJVTDYGPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2.2C24H19ClF2N6O.C24H22ClFN4O2.C24H19F3N6O.C23H19ClFN7O.H37P35/c1-32-22(13-19(14-34)31-32)30-21-11-15(4-7-28-21)18-9-16-5-8-33(24(16)20(27)10-18)23(35)12-17-3-2-6-29-25(17)26;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(26)2-3-18(15)25;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-15-6-9-33(23(15)19(27)11-16)22(34)12-14-2-3-17(26)13-18(14)25;25-24-16(2-1-5-28-24)11-22(32)30-7-4-15-8-17(9-20(26)23(15)30)14-3-6-27-21(10-14)29-18-12-19(31)13-18;1-32-21(5-8-29-32)31-24-28-7-4-20(30-24)16-10-14-6-9-33(23(14)19(27)12-16)22(34)13-15-11-17(25)2-3-18(15)26;1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)16-10-15-5-9-32(22(15)18(25)11-16)21(33)12-14-2-6-26-13-17(14)24;1-19-28(18)33(29(20(2)3)21(4)5)35(32(26(14)15)27(16)17)34(30(22(6)7)23(8)9)31(24(10)11)25(12)13/h2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-5,7-8,10-11,13H,6,9,12H2,1H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-8,10-12H,6,9,13H2,1H3,(H,28,30,31);2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30);19H,1-18H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 3957.41 g/mol, XLogP of 45.76, 47 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;2-(2-chloro-4-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-5-fluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclobutyl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[[3-(hydroxymethyl)-1-methylpyrazol-5-yl]amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(3-chloro-4-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2,5-difluorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 161013960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).