4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

C22H24FN5O3 — CID 67996971

IUPAC4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3[nH]1)cn2C(C)N1CCOCC1
InChIInChI=1S/C22H24FN5O3/c1-13(27-4-6-31-7-5-27)28-12-16(17-9-14-8-15(23)11-24-21(14)25-17)20-18(28)10-19(29-2)22(26-20)30-3/h8-13H,4-7H2,1-3H3,(H,24,25)
InChIKeyLEZKXJSHQUDOBP-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.59
Rot. Bonds5

About 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine

4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (PubChem CID 67996971) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
PubChem CID67996971
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3[nH]1)cn2C(C)N1CCOCC1
InChIInChI=1S/C22H24FN5O3/c1-13(27-4-6-31-7-5-27)28-12-16(17-9-14-8-15(23)11-24-21(14)25-17)20-18(28)10-19(29-2)22(26-20)30-3/h8-13H,4-7H2,1-3H3,(H,24,25)
InChIKeyLEZKXJSHQUDOBP-UHFFFAOYSA-N
XLogP3.59
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (CID 67996971) is 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is COc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3[nH]1)cn2C(C)N1CCOCC1.
What is the InChIKey of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The InChIKey is LEZKXJSHQUDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-13(27-4-6-31-7-5-27)28-12-16(17-9-14-8-15(23)11-24-21(14)25-17)20-18(28)10-19(29-2)22(26-20)30-3/h8-13H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine has a molecular weight of 425.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine is sourced from PubChem (CID 67996971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).