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

C23H25ClFN5O3 — CID 154490797

IUPAC4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine
SMILESCOc1cc2c(cc(-c3cc4c(Cl)c(F)cnc4[nH]3)n2CCCN2CCOCC2)nc1OC
InChIInChI=1S/C23H25ClFN5O3/c1-31-20-12-19-17(28-23(20)32-2)11-18(30(19)5-3-4-29-6-8-33-9-7-29)16-10-14-21(24)15(25)13-26-22(14)27-16/h10-13H,3-9H2,1-2H3,(H,26,27)
InChIKeyYJUNDRXERUCTSD-UHFFFAOYSA-N
MW473.94 g/mol
LogP4.11
Rot. Bonds7

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

4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine (PubChem CID 154490797) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine
PubChem CID154490797
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC Name4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine
SMILESCOc1cc2c(cc(-c3cc4c(Cl)c(F)cnc4[nH]3)n2CCCN2CCOCC2)nc1OC
InChIInChI=1S/C23H25ClFN5O3/c1-31-20-12-19-17(28-23(20)32-2)11-18(30(19)5-3-4-29-6-8-33-9-7-29)16-10-14-21(24)15(25)13-26-22(14)27-16/h10-13H,3-9H2,1-2H3,(H,26,27)
InChIKeyYJUNDRXERUCTSD-UHFFFAOYSA-N
XLogP4.11
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine (CID 154490797) is 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine is COc1cc2c(cc(-c3cc4c(Cl)c(F)cnc4[nH]3)n2CCCN2CCOCC2)nc1OC.
What is the InChIKey of 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine?
The InChIKey is YJUNDRXERUCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-31-20-12-19-17(28-23(20)32-2)11-18(30(19)5-3-4-29-6-8-33-9-7-29)16-10-14-21(24)15(25)13-26-22(14)27-16/h10-13H,3-9H2,1-2H3,(H,26,27).
What are the key properties of 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine?
4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine has a molecular weight of 473.94 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]morpholine is sourced from PubChem (CID 154490797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).