cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate

C21H26N6O4 — CID 168936179

IUPACcyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate
SMILESO=C(N[C@H](C(=O)Nc1cnn(Cc2ncc[nH]c2=O)c1)C(C1CC1)C1CC1)OC1CC1
InChIInChI=1S/C21H26N6O4/c28-19-16(22-7-8-23-19)11-27-10-14(9-24-27)25-20(29)18(26-21(30)31-15-5-6-15)17(12-1-2-12)13-3-4-13/h7-10,12-13,15,17-18H,1-6,11H2,(H,23,28)(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyBDFQCOXQMNYFIS-SFHVURJKSA-N
MW426.48 g/mol
LogP1.65
Rot. Bonds9

About cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate

cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate (PubChem CID 168936179) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate
PubChem CID168936179
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Namecyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate
SMILESO=C(N[C@H](C(=O)Nc1cnn(Cc2ncc[nH]c2=O)c1)C(C1CC1)C1CC1)OC1CC1
InChIInChI=1S/C21H26N6O4/c28-19-16(22-7-8-23-19)11-27-10-14(9-24-27)25-20(29)18(26-21(30)31-15-5-6-15)17(12-1-2-12)13-3-4-13/h7-10,12-13,15,17-18H,1-6,11H2,(H,23,28)(H,25,29)(H,26,30)/t18-/m0/s1
InChIKeyBDFQCOXQMNYFIS-SFHVURJKSA-N
XLogP1.65
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate?
The IUPAC name of cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate (CID 168936179) is cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate.
What is the SMILES notation for cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate?
The canonical SMILES for cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate is O=C(N[C@H](C(=O)Nc1cnn(Cc2ncc[nH]c2=O)c1)C(C1CC1)C1CC1)OC1CC1.
What is the InChIKey of cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate?
The InChIKey is BDFQCOXQMNYFIS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N6O4/c28-19-16(22-7-8-23-19)11-27-10-14(9-24-27)25-20(29)18(26-21(30)31-15-5-6-15)17(12-1-2-12)13-3-4-13/h7-10,12-13,15,17-18H,1-6,11H2,(H,23,28)(H,25,29)(H,26,30)/t18-/m0/s1.
What are the key properties of cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate?
cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate has a molecular weight of 426.48 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 168936179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).