5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile

C115H88Br6N36O14 — CID 161257679

IUPAC5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile
SMILESC#Cc1cncc(Oc2nc(Oc3cc(C#N)cc(OC)c3)c3c(Br)c(CC)[nH]c3n2)c1.C#Cc1cncc(Oc2nc(Oc3cncnc3)c3c(Br)c(CC)[nH]c3n2)c1.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(C#N)c3)c2c1Br
InChIInChI=1S/C23H16BrN5O3.C22H14BrN5O4.C19H13BrN6O2.C18H12BrN7O2.C18H17BrN6O2.C15H16BrN7O/c1-4-13-6-17(12-26-11-13)32-23-28-21-19(20(24)18(5-2)27-21)22(29-23)31-16-8-14(10-25)7-15(9-16)30-3;1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16;1-3-11-5-12(7-21-6-11)28-19-25-17-15(16(20)14(4-2)24-17)18(26-19)27-13-8-22-10-23-9-13;1-2-13-15(19)14-16(24-13)25-18(28-12-7-22-9-23-8-12)26-17(14)27-11-3-10(4-20)5-21-6-11;1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13;1-2-10-12(16)11-13(20-10)21-15(24-9-3-18-7-19-4-9)22-14(11)23-5-8(17)6-23/h1,6-9,11-12H,5H2,2-3H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);1,5-10H,4H2,2H3,(H,24,25,26);3,5-9H,2H2,1H3,(H,24,25,26);3-6,9H,2,7-8,20H2,1H3,(H,22,23,24);3-4,7-8H,2,5-6,17H2,1H3,(H,20,21,22)
InChIKeyVCDIIORCFXWSND-UHFFFAOYSA-N
MW2677.63 g/mol
LogP24.61
Rot. Bonds29

About 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile

5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile (PubChem CID 161257679) has the molecular formula C115H88Br6N36O14 and a molecular weight of 2677.63 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile
PubChem CID161257679
Molecular FormulaC115H88Br6N36O14
Molecular Weight2677.63 g/mol
Exact Mass2670.24
IUPAC Name5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile
SMILESC#Cc1cncc(Oc2nc(Oc3cc(C#N)cc(OC)c3)c3c(Br)c(CC)[nH]c3n2)c1.C#Cc1cncc(Oc2nc(Oc3cncnc3)c3c(Br)c(CC)[nH]c3n2)c1.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(C#N)c3)c2c1Br
InChIInChI=1S/C23H16BrN5O3.C22H14BrN5O4.C19H13BrN6O2.C18H12BrN7O2.C18H17BrN6O2.C15H16BrN7O/c1-4-13-6-17(12-26-11-13)32-23-28-21-19(20(24)18(5-2)27-21)22(29-23)31-16-8-14(10-25)7-15(9-16)30-3;1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16;1-3-11-5-12(7-21-6-11)28-19-25-17-15(16(20)14(4-2)24-17)18(26-19)27-13-8-22-10-23-9-13;1-2-13-15(19)14-16(24-13)25-18(28-12-7-22-9-23-8-12)26-17(14)27-11-3-10(4-20)5-21-6-11;1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13;1-2-10-12(16)11-13(20-10)21-15(24-9-3-18-7-19-4-9)22-14(11)23-5-8(17)6-23/h1,6-9,11-12H,5H2,2-3H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);1,5-10H,4H2,2H3,(H,24,25,26);3,5-9H,2H2,1H3,(H,24,25,26);3-6,9H,2,7-8,20H2,1H3,(H,22,23,24);3-4,7-8H,2,5-6,17H2,1H3,(H,20,21,22)
InChIKeyVCDIIORCFXWSND-UHFFFAOYSA-N
XLogP24.61
TPSA651.15 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002677.63
LogP ≤ 524.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-bromo-4-(3-cyanophenoxy)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]pyridine-3-carbonitrile;5-[[5-bromo-2-[(5-cyano-3-pyridinyl)oxy]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;6-[[5-bromo-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]furo[3,2-b]pyridine;5-bromo-4-ethoxy-6-ethyl-N-pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;5-bromo-6-ethyl-N,N-dimethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;pentakis(1,1,1-trifluoropropan-2-one)
CID 161050430
CID 161814463
CID 161814463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile (CID 161257679) is 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile is C#Cc1cncc(Oc2nc(Oc3cc(C#N)cc(OC)c3)c3c(Br)c(CC)[nH]c3n2)c1.C#Cc1cncc(Oc2nc(Oc3cncnc3)c3c(Br)c(CC)[nH]c3n2)c1.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(N3CC(N)C3)c2c1Br.CCc1[nH]c2nc(Oc3cncnc3)nc(Oc3cncc(C#N)c3)c2c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile?
The InChIKey is VCDIIORCFXWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN5O3.C22H14BrN5O4.C19H13BrN6O2.C18H12BrN7O2.C18H17BrN6O2.C15H16BrN7O/c1-4-13-6-17(12-26-11-13)32-23-28-21-19(20(24)18(5-2)27-21)22(29-23)31-16-8-14(10-25)7-15(9-16)30-3;1-2-13-19(23)18-20(26-13)27-22(32-12-8-17-15(25-10-12)4-6-30-17)28-21(18)31-11-7-16-14(24-9-11)3-5-29-16;1-3-11-5-12(7-21-6-11)28-19-25-17-15(16(20)14(4-2)24-17)18(26-19)27-13-8-22-10-23-9-13;1-2-13-15(19)14-16(24-13)25-18(28-12-7-22-9-23-8-12)26-17(14)27-11-3-10(4-20)5-21-6-11;1-2-11-15(19)14-16(22-11)23-18(24-17(14)25-7-9(20)8-25)27-10-5-13-12(21-6-10)3-4-26-13;1-2-10-12(16)11-13(20-10)21-15(24-9-3-18-7-19-4-9)22-14(11)23-5-8(17)6-23/h1,6-9,11-12H,5H2,2-3H3,(H,27,28,29);3-10H,2H2,1H3,(H,26,27,28);1,5-10H,4H2,2H3,(H,24,25,26);3,5-9H,2H2,1H3,(H,24,25,26);3-6,9H,2,7-8,20H2,1H3,(H,22,23,24);3-4,7-8H,2,5-6,17H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile?
5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile has a molecular weight of 2677.63 g/mol, XLogP of 24.61, 29 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;3-[[5-bromo-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]-5-methoxybenzonitrile;1-(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;6-[(5-bromo-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;1-(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-amine;5-[(5-bromo-6-ethyl-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 161257679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).