(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate

C15H20N4O3 — CID 67371880

IUPAC(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H20N4O3/c1-15(2,8-20)7-18-14(21)22-11-6-17-13-12(11)19-10(5-16-13)9-3-4-9/h5-6,9,20H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyCBSFKZACMSZGQP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.94
Rot. Bonds5

About (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate

(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate (PubChem CID 67371880) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
PubChem CID67371880
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H20N4O3/c1-15(2,8-20)7-18-14(21)22-11-6-17-13-12(11)19-10(5-16-13)9-3-4-9/h5-6,9,20H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21)
InChIKeyCBSFKZACMSZGQP-UHFFFAOYSA-N
XLogP1.94
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The IUPAC name of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate (CID 67371880) is (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The canonical SMILES for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate is CC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The InChIKey is CBSFKZACMSZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(2,8-20)7-18-14(21)22-11-6-17-13-12(11)19-10(5-16-13)9-3-4-9/h5-6,9,20H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,21).
What are the key properties of (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate has a molecular weight of 304.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-(3-hydroxy-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 67371880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).