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

C22H23ClFN5O3 — CID 11698298

IUPAC4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3[nH]1)cn2CCN1CCOCC1
InChIInChI=1S/C22H23ClFN5O3/c1-30-18-10-17-20(27-22(18)31-2)14(12-29(17)4-3-28-5-7-32-8-6-28)16-9-13-19(23)15(24)11-25-21(13)26-16/h9-12H,3-8H2,1-2H3,(H,25,26)
InChIKeyLLKSIIPJHHSDHM-UHFFFAOYSA-N
MW459.91 g/mol
LogP3.72
Rot. Bonds6

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

4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (PubChem CID 11698298) has the molecular formula C22H23ClFN5O3 and a molecular weight of 459.91 g/mol. Its IUPAC name is 4-[2-[3-(4-chloro-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-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
PubChem CID11698298
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.91 g/mol
Exact Mass459.15
IUPAC Name4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3[nH]1)cn2CCN1CCOCC1
InChIInChI=1S/C22H23ClFN5O3/c1-30-18-10-17-20(27-22(18)31-2)14(12-29(17)4-3-28-5-7-32-8-6-28)16-9-13-19(23)15(24)11-25-21(13)26-16/h9-12H,3-8H2,1-2H3,(H,25,26)
InChIKeyLLKSIIPJHHSDHM-UHFFFAOYSA-N
XLogP3.72
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-chloro-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-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine (CID 11698298) is 4-[2-[3-(4-chloro-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-(4-chloro-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-(4-chloro-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(-c1cc3c(Cl)c(F)cnc3[nH]1)cn2CCN1CCOCC1.
What is the InChIKey of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
The InChIKey is LLKSIIPJHHSDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3/c1-30-18-10-17-20(27-22(18)31-2)14(12-29(17)4-3-28-5-7-32-8-6-28)16-9-13-19(23)15(24)11-25-21(13)26-16/h9-12H,3-8H2,1-2H3,(H,25,26).
What are the key properties of 4-[2-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine?
4-[2-[3-(4-chloro-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 459.91 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-chloro-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 11698298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).