4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine

C20H21N7O — CID 90105999

IUPAC4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine
SMILESc1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3n2)ccn1
InChIInChI=1S/C20H21N7O/c1-3-21-4-2-15(1)18-13-23-20-19(25-18)17(12-22-20)16-11-24-27(14-16)6-5-26-7-9-28-10-8-26/h1-4,11-14H,5-10H2,(H,22,23)
InChIKeyJBYABIYRPIXQPV-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.22
Rot. Bonds5

About 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 90105999) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine
PubChem CID90105999
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine
SMILESc1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3n2)ccn1
InChIInChI=1S/C20H21N7O/c1-3-21-4-2-15(1)18-13-23-20-19(25-18)17(12-22-20)16-11-24-27(14-16)6-5-26-7-9-28-10-8-26/h1-4,11-14H,5-10H2,(H,22,23)
InChIKeyJBYABIYRPIXQPV-UHFFFAOYSA-N
XLogP2.22
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine (CID 90105999) is 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine is c1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3n2)ccn1.
What is the InChIKey of 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is JBYABIYRPIXQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-3-21-4-2-15(1)18-13-23-20-19(25-18)17(12-22-20)16-11-24-27(14-16)6-5-26-7-9-28-10-8-26/h1-4,11-14H,5-10H2,(H,22,23).
What are the key properties of 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 90105999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).