[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C21H23N5O3 — CID 67370952

IUPAC[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C21H23N5O3/c1-13(2)24-21(28)29-17-12-23-19-18(17)25-16(11-22-19)14-6-5-7-15(10-14)20(27)26-8-3-4-9-26/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,28)
InChIKeyXOTCJYTYPZICCF-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.36
Rot. Bonds4

About [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67370952) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67370952
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C21H23N5O3/c1-13(2)24-21(28)29-17-12-23-19-18(17)25-16(11-22-19)14-6-5-7-15(10-14)20(27)26-8-3-4-9-26/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,28)
InChIKeyXOTCJYTYPZICCF-UHFFFAOYSA-N
XLogP3.36
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67370952) is [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(C(=O)N4CCCC4)c3)nc12.
What is the InChIKey of [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is XOTCJYTYPZICCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13(2)24-21(28)29-17-12-23-19-18(17)25-16(11-22-19)14-6-5-7-15(10-14)20(27)26-8-3-4-9-26/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,23)(H,24,28).
What are the key properties of [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 393.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(pyrrolidine-1-carbonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67370952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).