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

C16H23N5O2 — CID 67368520

IUPAC[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(NCC3CCCC3)nc12
InChIInChI=1S/C16H23N5O2/c1-10(2)20-16(22)23-12-8-18-15-14(12)21-13(9-19-15)17-7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVMEAOYXJDMZLDO-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.06
Rot. Bonds5

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

[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67368520) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67368520
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(NCC3CCCC3)nc12
InChIInChI=1S/C16H23N5O2/c1-10(2)20-16(22)23-12-8-18-15-14(12)21-13(9-19-15)17-7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyVMEAOYXJDMZLDO-UHFFFAOYSA-N
XLogP3.06
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 67364708
CID 67364708
CID 67365015
CID 67365015
CID 67370299
CID 67370299
CID 67370936
CID 67370936
CID 67371097
CID 67371097
CID 67371212
CID 67371212
CID 67371385
CID 67371385
CID 67371880
CID 67371880
CID 67372109
CID 67372109
CID 87371760
CID 87371760
CID 126597607
CID 126597607
CID 170012027
CID 170012027

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67368520) is [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(NCC3CCCC3)nc12.
What is the InChIKey of [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is VMEAOYXJDMZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)20-16(22)23-12-8-18-15-14(12)21-13(9-19-15)17-7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylamino)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).