6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid

C24H15ClF3N5O6 — CID 162327136

IUPAC6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C22H14ClN5O4.C2HF3O2/c1-2-13-19(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;3-2(4,5)1(6)7/h3-10H,2H2,1H3,(H,26,27,28);(H,6,7)
InChIKeyLJIMSGHNIWTFSS-UHFFFAOYSA-N
MW561.86 g/mol
LogP6.67
Rot. Bonds5

About 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid

6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 162327136) has the molecular formula C24H15ClF3N5O6 and a molecular weight of 561.86 g/mol. Its IUPAC name is 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
PubChem CID162327136
Molecular FormulaC24H15ClF3N5O6
Molecular Weight561.86 g/mol
Exact Mass561.07
IUPAC Name6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
SMILESCCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C22H14ClN5O4.C2HF3O2/c1-2-13-19(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;3-2(4,5)1(6)7/h3-10H,2H2,1H3,(H,26,27,28);(H,6,7)
InChIKeyLJIMSGHNIWTFSS-UHFFFAOYSA-N
XLogP6.67
TPSA149.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.86
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 118346664
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 147362279
methyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 3-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 160258129
5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 160326485
1-(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 162325224
5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-2-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 162332549
6-[[5-chloro-6-ethyl-4-[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 162335204
6-[[5-chloro-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;2,2,2-trifluoroacetic acid
CID 169431196
3-[3-[4-[(2S,4S)-4-[[5-chloro-3-[(3S,4R)-4-fluoro-3-methylpiperidin-4-yl]-2-pyridinyl]oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]propoxy]propanoic acid
CID 171724389
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 66549288
2-Amino-4-chloro-7-(furo[3,2-b]pyridin-6-ylmethyl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine-5-methanol
CID 87576646
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
CID 89460591

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid (CID 162327136) is 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid is CCc1[nH]c2nc(Oc3cnc4ccoc4c3)nc(Oc3cnc4ccoc4c3)c2c1Cl.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is LJIMSGHNIWTFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O4.C2HF3O2/c1-2-13-19(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;3-2(4,5)1(6)7/h3-10H,2H2,1H3,(H,26,27,28);(H,6,7).
What are the key properties of 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid?
6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 561.86 g/mol, XLogP of 6.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-6-ethyl-2-furo[3,2-b]pyridin-6-yloxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162327136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).