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

C16H22N4O2 — CID 67371212

IUPAC(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C16H22N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyRYCGUDMMXAXJEJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.50
Rot. Bonds3

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

(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (PubChem CID 67371212) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
PubChem CID67371212
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C16H22N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyRYCGUDMMXAXJEJ-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The IUPAC name of (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (CID 67371212) is (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(C3CCCCC3)nc12.
What is the InChIKey of (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The InChIKey is RYCGUDMMXAXJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)19-16(21)22-13-9-18-15-14(13)20-12(8-17-15)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
(2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate has a molecular weight of 302.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 67371212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).