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

C22H24FN5O3 — CID 11553636

IUPAC4-[2-[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)cn2CCN1CCOCC1
InChIInChI=1S/C22H24FN5O3/c1-29-19-11-18-20(26-22(19)30-2)16(13-28(18)4-3-27-5-7-31-8-6-27)17-10-14-9-15(23)12-24-21(14)25-17/h9-13H,3-8H2,1-2H3,(H,24,25)
InChIKeyCUGFPWPZXQLXGX-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.07
Rot. Bonds6

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

4-[2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (PubChem CID 11553636) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[2-[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-[2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
PubChem CID11553636
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name4-[2-[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)cn2CCN1CCOCC1
InChIInChI=1S/C22H24FN5O3/c1-29-19-11-18-20(26-22(19)30-2)16(13-28(18)4-3-27-5-7-31-8-6-27)17-10-14-9-15(23)12-24-21(14)25-17/h9-13H,3-8H2,1-2H3,(H,24,25)
InChIKeyCUGFPWPZXQLXGX-UHFFFAOYSA-N
XLogP3.07
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[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-[2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (CID 11553636) is 4-[2-[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-[2-[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-[2-[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)cn2CCN1CCOCC1.
What is the InChIKey of 4-[2-[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 CUGFPWPZXQLXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-29-19-11-18-20(26-22(19)30-2)16(13-28(18)4-3-27-5-7-31-8-6-27)17-10-14-9-15(23)12-24-21(14)25-17/h9-13H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 4-[2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
4-[2-[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 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[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 11553636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).