[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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Related Compounds

[2-[5-(1-hydroxyethyl)-1-methylindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 126597821
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
N-propan-2-yl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118641538
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
2,2-dimethyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 158117176
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 141340830
[3-[5-amino-6-[1-(2,6-dichlorophenyl)ethoxy]pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 21111106
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662

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).