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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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

C51H83Cl2F2N12O3P35 — CID 159604786

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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
SMILESCCc1cc(Nc2cc(-c3cc(F)c4c(c3)CCN4C(=O)Cc3cccnc3Cl)ccn2)n(C)n1.Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.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/C26H24ClFN6O.C25H22ClFN6O2.H37P35/c1-3-20-15-23(33(2)32-20)31-22-13-16(6-9-29-22)19-11-17-7-10-34(25(17)21(28)12-19)24(35)14-18-5-4-8-30-26(18)27;1-32-22(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;1-19-28(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/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,29,31);2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);19H,1-18H2
InChIKeyMLYDGTKQGVFLBU-UHFFFAOYSA-N
MW2105.30 g/mol
LogP29.38
Rot. Bonds28

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 (PubChem CID 159604786) has the molecular formula C51H83Cl2F2N12O3P35 and a molecular weight of 2105.30 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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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.

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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
PubChem CID159604786
Molecular FormulaC51H83Cl2F2N12O3P35
Molecular Weight2105.30 g/mol
Exact Mass2103.69
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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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
SMILESCCc1cc(Nc2cc(-c3cc(F)c4c(c3)CCN4C(=O)Cc3cccnc3Cl)ccn2)n(C)n1.Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.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/C26H24ClFN6O.C25H22ClFN6O2.H37P35/c1-3-20-15-23(33(2)32-20)31-22-13-16(6-9-29-22)19-11-17-7-10-34(25(17)21(28)12-19)24(35)14-18-5-4-8-30-26(18)27;1-32-22(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;1-19-28(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/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,29,31);2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);19H,1-18H2
InChIKeyMLYDGTKQGVFLBU-UHFFFAOYSA-N
XLogP29.38
TPSA172.11 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002105.30
LogP ≤ 529.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 with MolForge

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

Launch Full Analysis

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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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?
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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 (CID 159604786) 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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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.
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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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?
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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 is CCc1cc(Nc2cc(-c3cc(F)c4c(c3)CCN4C(=O)Cc3cccnc3Cl)ccn2)n(C)n1.Cn1nc(CO)cc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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?
The InChIKey is MLYDGTKQGVFLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O.C25H22ClFN6O2.H37P35/c1-3-20-15-23(33(2)32-20)31-22-13-16(6-9-29-22)19-11-17-7-10-34(25(17)21(28)12-19)24(35)14-18-5-4-8-30-26(18)27;1-32-22(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;1-19-28(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/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,29,31);2-4,6-7,9-11,13,34H,5,8,12,14H2,1H3,(H,28,30);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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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?
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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 has a molecular weight of 2105.30 g/mol, XLogP of 29.38, 28 rotatable bonds, 3 hydrogen bond donors, and 13 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-3-pyridinyl)-1-[5-[2-[(3-ethyl-1-methylpyrazol-5-yl)amino]-4-pyridinyl]-7-fluoro-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 is sourced from PubChem (CID 159604786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).