2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

C145H127Cl6F8N39O8 — CID 159172728

IUPAC2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOCC1Cc2cc(-c3nc(Nc4ccnn4C)ncc3C)cc(F)c2N1C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CC(C)N2C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CCN2C(=O)Cc1cccnc1Cl.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2F)CCN3C(=O)Cc2cccnc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc3c(c(F)c2F)N(C(=O)Cc2cccnc2Cl)CC3)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21
InChIInChI=1S/C26H25ClFN7O2.C25H23ClFN7O.C24H21ClFN7O.C24H22ClFN4O2.2C23H18ClF2N7O/c1-15-13-30-26(32-21-6-8-31-34(21)2)33-23(15)17-9-18-10-19(14-37-3)35(24(18)20(28)11-17)22(36)12-16-5-4-7-29-25(16)27;1-14-13-29-25(31-20-6-8-30-33(20)3)32-22(14)17-10-18-9-15(2)34(23(18)19(27)11-17)21(35)12-16-5-4-7-28-24(16)26;1-14-13-28-24(30-19-5-8-29-32(19)2)31-21(14)17-10-15-6-9-33(22(15)18(26)11-17)20(34)12-16-4-3-7-27-23(16)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;1-32-17(5-9-29-32)31-23-28-8-4-16(30-23)15-11-13-6-10-33(21(13)20(26)19(15)25)18(34)12-14-3-2-7-27-22(14)24;1-32-18(5-9-29-32)31-23-28-8-4-17(30-23)15-12-16(25)21-14(20(15)26)6-10-33(21)19(34)11-13-3-2-7-27-22(13)24/h4-9,11,13,19H,10,12,14H2,1-3H3,(H,30,32,33);4-8,10-11,13,15H,9,12H2,1-3H3,(H,29,31,32);3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-9,11H,6,10,12H2,1H3,(H,28,30,31);2-5,7-9,12H,6,10-11H2,1H3,(H,28,30,31)
InChIKeyKLWWVBDXXILIMV-UHFFFAOYSA-N
MW2908.58 g/mol
LogP25.31
Rot. Bonds32

About 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 159172728) has the molecular formula C145H127Cl6F8N39O8 and a molecular weight of 2908.58 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID159172728
Molecular FormulaC145H127Cl6F8N39O8
Molecular Weight2908.58 g/mol
Exact Mass2903.87
IUPAC Name2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOCC1Cc2cc(-c3nc(Nc4ccnn4C)ncc3C)cc(F)c2N1C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CC(C)N2C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CCN2C(=O)Cc1cccnc1Cl.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2F)CCN3C(=O)Cc2cccnc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc3c(c(F)c2F)N(C(=O)Cc2cccnc2Cl)CC3)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21
InChIInChI=1S/C26H25ClFN7O2.C25H23ClFN7O.C24H21ClFN7O.C24H22ClFN4O2.2C23H18ClF2N7O/c1-15-13-30-26(32-21-6-8-31-34(21)2)33-23(15)17-9-18-10-19(14-37-3)35(24(18)20(28)11-17)22(36)12-16-5-4-7-29-25(16)27;1-14-13-29-25(31-20-6-8-30-33(20)3)32-22(14)17-10-18-9-15(2)34(23(18)19(27)11-17)21(35)12-16-5-4-7-28-24(16)26;1-14-13-28-24(30-19-5-8-29-32(19)2)31-21(14)17-10-15-6-9-33(22(15)18(26)11-17)20(34)12-16-4-3-7-27-23(16)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;1-32-17(5-9-29-32)31-23-28-8-4-16(30-23)15-11-13-6-10-33(21(13)20(26)19(15)25)18(34)12-14-3-2-7-27-22(14)24;1-32-18(5-9-29-32)31-23-28-8-4-17(30-23)15-12-16(25)21-14(20(15)26)6-10-33(21)19(34)11-13-3-2-7-27-22(13)24/h4-9,11,13,19H,10,12,14H2,1-3H3,(H,30,32,33);4-8,10-11,13,15H,9,12H2,1-3H3,(H,29,31,32);3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-9,11H,6,10,12H2,1H3,(H,28,30,31);2-5,7-9,12H,6,10-11H2,1H3,(H,28,30,31)
InChIKeyKLWWVBDXXILIMV-UHFFFAOYSA-N
XLogP25.31
TPSA531.73 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms206
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002908.58
LogP ≤ 525.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 159172728) is 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is COCC1Cc2cc(-c3nc(Nc4ccnn4C)ncc3C)cc(F)c2N1C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CC(C)N2C(=O)Cc1cccnc1Cl.Cc1cnc(Nc2ccnn2C)nc1-c1cc(F)c2c(c1)CCN2C(=O)Cc1cccnc1Cl.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2F)CCN3C(=O)Cc2cccnc2Cl)n1.Cn1nccc1Nc1nccc(-c2cc3c(c(F)c2F)N(C(=O)Cc2cccnc2Cl)CC3)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CC(O)C4)c3)cc(F)c21.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KLWWVBDXXILIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN7O2.C25H23ClFN7O.C24H21ClFN7O.C24H22ClFN4O2.2C23H18ClF2N7O/c1-15-13-30-26(32-21-6-8-31-34(21)2)33-23(15)17-9-18-10-19(14-37-3)35(24(18)20(28)11-17)22(36)12-16-5-4-7-29-25(16)27;1-14-13-29-25(31-20-6-8-30-33(20)3)32-22(14)17-10-18-9-15(2)34(23(18)19(27)11-17)21(35)12-16-5-4-7-28-24(16)26;1-14-13-28-24(30-19-5-8-29-32(19)2)31-21(14)17-10-15-6-9-33(22(15)18(26)11-17)20(34)12-16-4-3-7-27-23(16)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;1-32-17(5-9-29-32)31-23-28-8-4-16(30-23)15-11-13-6-10-33(21(13)20(26)19(15)25)18(34)12-14-3-2-7-27-22(14)24;1-32-18(5-9-29-32)31-23-28-8-4-17(30-23)15-12-16(25)21-14(20(15)26)6-10-33(21)19(34)11-13-3-2-7-27-22(13)24/h4-9,11,13,19H,10,12,14H2,1-3H3,(H,30,32,33);4-8,10-11,13,15H,9,12H2,1-3H3,(H,29,31,32);3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,28,30,31);1-3,5-6,8-10,18-19,31H,4,7,11-13H2,(H,27,29);2-5,7-9,11H,6,10,12H2,1H3,(H,28,30,31);2-5,7-9,12H,6,10-11H2,1H3,(H,28,30,31).
What are the key properties of 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 2908.58 g/mol, XLogP of 25.31, 32 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1-[4,7-difluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[6,7-difluoro-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-2-(methoxymethyl)-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-2-methyl-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 159172728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).