N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide

C20H20N6O2 — CID 59723530

IUPACN-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide
SMILESCCc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1NC(C)=O
InChIInChI=1S/C20H20N6O2/c1-3-13-10-14(4-5-15(13)23-12(2)27)19-21-7-6-16(24-19)17-11-18-20(28)22-8-9-26(18)25-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyWFKSMRFDJQZLFS-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.27
Rot. Bonds4

About N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide

N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide (PubChem CID 59723530) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide
PubChem CID59723530
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide
SMILESCCc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1NC(C)=O
InChIInChI=1S/C20H20N6O2/c1-3-13-10-14(4-5-15(13)23-12(2)27)19-21-7-6-16(24-19)17-11-18-20(28)22-8-9-26(18)25-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,28)(H,23,27)
InChIKeyWFKSMRFDJQZLFS-UHFFFAOYSA-N
XLogP2.27
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide (CID 59723530) is N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide is CCc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1NC(C)=O.
What is the InChIKey of N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide?
The InChIKey is WFKSMRFDJQZLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-13-10-14(4-5-15(13)23-12(2)27)19-21-7-6-16(24-19)17-11-18-20(28)22-8-9-26(18)25-17/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,28)(H,23,27).
What are the key properties of N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide?
N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 59723530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).