4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine

C28H35FN6O4 — CID 67996970

IUPAC4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine
SMILESCOCC(c1cc2[nH]cc(-c3cc4cc(F)cnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C28H35FN6O4/c1-36-16-24(34-3-7-38-8-4-34)20-13-23-26(33-27(20)25(17-37-2)35-5-9-39-10-6-35)21(15-30-23)22-12-18-11-19(29)14-31-28(18)32-22/h11-15,24-25,30H,3-10,16-17H2,1-2H3,(H,31,32)
InChIKeyVXPHUYWAZKGLRC-UHFFFAOYSA-N
MW538.62 g/mol
LogP3.28
Rot. Bonds9

About 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine

4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine (PubChem CID 67996970) has the molecular formula C28H35FN6O4 and a molecular weight of 538.62 g/mol. Its IUPAC name is 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine
PubChem CID67996970
Molecular FormulaC28H35FN6O4
Molecular Weight538.62 g/mol
Exact Mass538.27
IUPAC Name4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine
SMILESCOCC(c1cc2[nH]cc(-c3cc4cc(F)cnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C28H35FN6O4/c1-36-16-24(34-3-7-38-8-4-34)20-13-23-26(33-27(20)25(17-37-2)35-5-9-39-10-6-35)21(15-30-23)22-12-18-11-19(29)14-31-28(18)32-22/h11-15,24-25,30H,3-10,16-17H2,1-2H3,(H,31,32)
InChIKeyVXPHUYWAZKGLRC-UHFFFAOYSA-N
XLogP3.28
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine with MolForge

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Related Compounds

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886
(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1-methylimidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720887
(3R)-1,1-bis(ethoxymethyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 9910573
11-[6-(2-methoxyethylamino)-2-pyridinyl]-N,3-dimethyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-amine
CID 57391448
4-Methyl-3-(oxan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395290
4-[4-(3,5,8,10-Tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexyl]morpholine
CID 58395383
(3S)-4-[8-(1H-indol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148793
(3R)-4-[8-(1H-indol-4-yl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 60148817
(3S)-4-[8-(1H-indol-4-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148819

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine?
The IUPAC name of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine (CID 67996970) is 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine.
What is the SMILES notation for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine?
The canonical SMILES for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine is COCC(c1cc2[nH]cc(-c3cc4cc(F)cnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine?
The InChIKey is VXPHUYWAZKGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O4/c1-36-16-24(34-3-7-38-8-4-34)20-13-23-26(33-27(20)25(17-37-2)35-5-9-39-10-6-35)21(15-30-23)22-12-18-11-19(29)14-31-28(18)32-22/h11-15,24-25,30H,3-10,16-17H2,1-2H3,(H,31,32).
What are the key properties of 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine?
4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine has a molecular weight of 538.62 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(2-methoxy-1-morpholin-4-ylethyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-methoxyethyl]morpholine is sourced from PubChem (CID 67996970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).