4-[1-[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 67997072

IUPAC4-[1-[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)cn2C(C)N1CCOCC1
InChIInChI=1S/C22H23ClFN5O3/c1-12(28-4-6-32-7-5-28)29-11-14(20-17(29)9-18(30-2)22(27-20)31-3)16-8-13-19(23)15(24)10-25-21(13)26-16/h8-12H,4-7H2,1-3H3,(H,25,26)
InChIKeyFUXBGJYHWWESIZ-UHFFFAOYSA-N
MW459.91 g/mol
LogP4.24
Rot. Bonds5

About 4-[1-[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-[1-[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 67997072) has the molecular formula C22H23ClFN5O3 and a molecular weight of 459.91 g/mol. Its IUPAC name is 4-[1-[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-[1-[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 CID67997072
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.91 g/mol
Exact Mass459.15
IUPAC Name4-[1-[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)cn2C(C)N1CCOCC1
InChIInChI=1S/C22H23ClFN5O3/c1-12(28-4-6-32-7-5-28)29-11-14(20-17(29)9-18(30-2)22(27-20)31-3)16-8-13-19(23)15(24)10-25-21(13)26-16/h8-12H,4-7H2,1-3H3,(H,25,26)
InChIKeyFUXBGJYHWWESIZ-UHFFFAOYSA-N
XLogP4.24
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[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-[1-[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-[1-[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 67997072) is 4-[1-[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-[1-[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-[1-[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)cn2C(C)N1CCOCC1.
What is the InChIKey of 4-[1-[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 FUXBGJYHWWESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3/c1-12(28-4-6-32-7-5-28)29-11-14(20-17(29)9-18(30-2)22(27-20)31-3)16-8-13-19(23)15(24)10-25-21(13)26-16/h8-12H,4-7H2,1-3H3,(H,25,26).
What are the key properties of 4-[1-[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-[1-[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 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[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 67997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).