5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

C18H12ClF2N5O2 — CID 67035148

IUPAC5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncc(F)c3)nc(Oc3cncc(F)c3)c2c1Cl
InChIInChI=1S/C18H12ClF2N5O2/c1-2-13-15(19)14-16(24-13)25-18(28-12-4-10(21)6-23-8-12)26-17(14)27-11-3-9(20)5-22-7-11/h3-8H,2H2,1H3,(H,24,25,26)
InChIKeyMYQMRNVVIMWQJB-UHFFFAOYSA-N
MW403.78 g/mol
LogP4.83
Rot. Bonds5

About 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67035148) has the molecular formula C18H12ClF2N5O2 and a molecular weight of 403.78 g/mol. Its IUPAC name is 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67035148
Molecular FormulaC18H12ClF2N5O2
Molecular Weight403.78 g/mol
Exact Mass403.06
IUPAC Name5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncc(F)c3)nc(Oc3cncc(F)c3)c2c1Cl
InChIInChI=1S/C18H12ClF2N5O2/c1-2-13-15(19)14-16(24-13)25-18(28-12-4-10(21)6-23-8-12)26-17(14)27-11-3-9(20)5-22-7-11/h3-8H,2H2,1H3,(H,24,25,26)
InChIKeyMYQMRNVVIMWQJB-UHFFFAOYSA-N
XLogP4.83
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine 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 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (CID 67035148) is 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is CCc1[nH]c2nc(Oc3cncc(F)c3)nc(Oc3cncc(F)c3)c2c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MYQMRNVVIMWQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N5O2/c1-2-13-15(19)14-16(24-13)25-18(28-12-4-10(21)6-23-8-12)26-17(14)27-11-3-9(20)5-22-7-11/h3-8H,2H2,1H3,(H,24,25,26).
What are the key properties of 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 403.78 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-2,4-bis[(5-fluoro-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67035148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).