4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride

C24H23Cl2FN4O-2 — CID 56946930

IUPAC4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
SMILESFc1ccc(-c2c(-c3ccncc3)n(CCN3CCOCC3)c3cccnc23)cc1.[Cl-].[Cl-]
InChIInChI=1S/C24H23FN4O.2ClH/c25-20-5-3-18(4-6-20)22-23-21(2-1-9-27-23)29(13-12-28-14-16-30-17-15-28)24(22)19-7-10-26-11-8-19;;/h1-11H,12-17H2;2*1H/p-2
InChIKeySYXGEHDNWQBRTC-UHFFFAOYSA-L
MW473.38 g/mol
LogP-1.76
Rot. Bonds5

About 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride

4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride (PubChem CID 56946930) has the molecular formula C24H23Cl2FN4O-2 and a molecular weight of 473.38 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
PubChem CID56946930
Molecular FormulaC24H23Cl2FN4O-2
Molecular Weight473.38 g/mol
Exact Mass472.12
IUPAC Name4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
SMILESFc1ccc(-c2c(-c3ccncc3)n(CCN3CCOCC3)c3cccnc23)cc1.[Cl-].[Cl-]
InChIInChI=1S/C24H23FN4O.2ClH/c25-20-5-3-18(4-6-20)22-23-21(2-1-9-27-23)29(13-12-28-14-16-30-17-15-28)24(22)19-7-10-26-11-8-19;;/h1-11H,12-17H2;2*1H/p-2
InChIKeySYXGEHDNWQBRTC-UHFFFAOYSA-L
XLogP-1.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride with MolForge

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Related Compounds

3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 25101367
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
CID 25101812
1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100450
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 23647186
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101816
methyl 1-ethyl-3-(4-fluorophenyl)-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988510
1-(2-morpholin-4-ylethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10037683
4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
CID 171671238
4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine
CID 42867773
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride (CID 56946930) is 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride is Fc1ccc(-c2c(-c3ccncc3)n(CCN3CCOCC3)c3cccnc23)cc1.[Cl-].[Cl-].
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride?
The InChIKey is SYXGEHDNWQBRTC-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23FN4O.2ClH/c25-20-5-3-18(4-6-20)22-23-21(2-1-9-27-23)29(13-12-28-14-16-30-17-15-28)24(22)19-7-10-26-11-8-19;;/h1-11H,12-17H2;2*1H/p-2.
What are the key properties of 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride?
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride has a molecular weight of 473.38 g/mol, XLogP of -1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride is sourced from PubChem (CID 56946930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).