4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine

C25H30N6O3 — CID 73056239

IUPAC4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C25H30N6O3/c1-32-21-11-18(12-22(13-21)33-2)3-4-20-16-26-25-24(28-20)14-23(29-25)19-15-27-31(17-19)6-5-30-7-9-34-10-8-30/h11-17H,3-10H2,1-2H3,(H,26,29)
InChIKeyZAYVNNWORCPSSV-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.96
Rot. Bonds9

About 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 73056239) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID73056239
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C25H30N6O3/c1-32-21-11-18(12-22(13-21)33-2)3-4-20-16-26-25-24(28-20)14-23(29-25)19-15-27-31(17-19)6-5-30-7-9-34-10-8-30/h11-17H,3-10H2,1-2H3,(H,26,29)
InChIKeyZAYVNNWORCPSSV-UHFFFAOYSA-N
XLogP2.96
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine (CID 73056239) is 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine is COc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCOCC5)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is ZAYVNNWORCPSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-32-21-11-18(12-22(13-21)33-2)3-4-20-16-26-25-24(28-20)14-23(29-25)19-15-27-31(17-19)6-5-30-7-9-34-10-8-30/h11-17H,3-10H2,1-2H3,(H,26,29).
What are the key properties of 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 462.55 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 73056239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).