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4-[1-[3-(4-chloro-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

C28H35ClN6O4 — CID 67997087

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[1-[3-(4-chloro-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(-c3cc4c(Cl)ccnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C28H35ClN6O4/c1-36-16-24(34-5-9-38-10-6-34)19-14-23-26(33-27(19)25(17-37-2)35-7-11-39-12-8-35)20(15-31-23)22-13-18-21(29)3-4-30-28(18)32-22/h3-4,13-15,24-25,31H,5-12,16-17H2,1-2H3,(H,30,32)
InChIKeyZYOSGTTXLNAHKM-UHFFFAOYSA-N
MW555.08 g/mol
LogP3.80
Rot. Bonds9

About 4-[1-[3-(4-chloro-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-(4-chloro-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 67997087) has the molecular formula C28H35ClN6O4 and a molecular weight of 555.08 g/mol. Its IUPAC name is 4-[1-[3-(4-chloro-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-(4-chloro-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 CID67997087
Molecular FormulaC28H35ClN6O4
Molecular Weight555.08 g/mol
Exact Mass554.24
IUPAC Name4-[1-[3-(4-chloro-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(-c3cc4c(Cl)ccnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C28H35ClN6O4/c1-36-16-24(34-5-9-38-10-6-34)19-14-23-26(33-27(19)25(17-37-2)35-7-11-39-12-8-35)20(15-31-23)22-13-18-21(29)3-4-30-28(18)32-22/h3-4,13-15,24-25,31H,5-12,16-17H2,1-2H3,(H,30,32)
InChIKeyZYOSGTTXLNAHKM-UHFFFAOYSA-N
XLogP3.80
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.08
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[1-[3-(4-chloro-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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-chloro-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-(4-chloro-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 67997087) is 4-[1-[3-(4-chloro-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-(4-chloro-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-(4-chloro-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(-c3cc4c(Cl)ccnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[1-[3-(4-chloro-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 ZYOSGTTXLNAHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O4/c1-36-16-24(34-5-9-38-10-6-34)19-14-23-26(33-27(19)25(17-37-2)35-7-11-39-12-8-35)20(15-31-23)22-13-18-21(29)3-4-30-28(18)32-22/h3-4,13-15,24-25,31H,5-12,16-17H2,1-2H3,(H,30,32).
What are the key properties of 4-[1-[3-(4-chloro-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-(4-chloro-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 555.08 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-chloro-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 67997087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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