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

C18H21N5O2 — CID 67370936

IUPAC[2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(N(C)C)c3)nc12
InChIInChI=1S/C18H21N5O2/c1-11(2)21-18(24)25-15-10-20-17-16(15)22-14(9-19-17)12-6-5-7-13(8-12)23(3)4/h5-11H,1-4H3,(H,19,20)(H,21,24)
InChIKeyRSQFTJOGKGCSOD-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.19
Rot. Bonds4

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

[2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67370936) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67370936
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(N(C)C)c3)nc12
InChIInChI=1S/C18H21N5O2/c1-11(2)21-18(24)25-15-10-20-17-16(15)22-14(9-19-17)12-6-5-7-13(8-12)23(3)4/h5-11H,1-4H3,(H,19,20)(H,21,24)
InChIKeyRSQFTJOGKGCSOD-UHFFFAOYSA-N
XLogP3.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67370936) is [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(N(C)C)c3)nc12.
What is the InChIKey of [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is RSQFTJOGKGCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)21-18(24)25-15-10-20-17-16(15)22-14(9-19-17)12-6-5-7-13(8-12)23(3)4/h5-11H,1-4H3,(H,19,20)(H,21,24).
What are the key properties of [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 339.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67370936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).