N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide

C22H26F3N5O3 — CID 144910293

IUPACN-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(C3CCN(CC(F)(F)F)C3=O)CC(C)N2N1
InChIInChI=1S/C22H26F3N5O3/c1-12-4-5-15(16(8-12)26-14(3)31)17-9-19-21(33)29(10-13(2)30(19)27-17)18-6-7-28(20(18)32)11-22(23,24)25/h4-5,8-9,13,17-18,27H,6-7,10-11H2,1-3H3,(H,26,31)
InChIKeySOHKLZVKSKQOJV-UHFFFAOYSA-N
MW465.48 g/mol
LogP2.09
Rot. Bonds4

About N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide

N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide (PubChem CID 144910293) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide
PubChem CID144910293
Molecular FormulaC22H26F3N5O3
Molecular Weight465.48 g/mol
Exact Mass465.20
IUPAC NameN-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(C3CCN(CC(F)(F)F)C3=O)CC(C)N2N1
InChIInChI=1S/C22H26F3N5O3/c1-12-4-5-15(16(8-12)26-14(3)31)17-9-19-21(33)29(10-13(2)30(19)27-17)18-6-7-28(20(18)32)11-22(23,24)25/h4-5,8-9,13,17-18,27H,6-7,10-11H2,1-3H3,(H,26,31)
InChIKeySOHKLZVKSKQOJV-UHFFFAOYSA-N
XLogP2.09
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide (CID 144910293) is N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cc(C)ccc1C1C=C2C(=O)N(C3CCN(CC(F)(F)F)C3=O)CC(C)N2N1.
What is the InChIKey of N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is SOHKLZVKSKQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-12-4-5-15(16(8-12)26-14(3)31)17-9-19-21(33)29(10-13(2)30(19)27-17)18-6-7-28(20(18)32)11-22(23,24)25/h4-5,8-9,13,17-18,27H,6-7,10-11H2,1-3H3,(H,26,31).
What are the key properties of N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide?
N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 465.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[7-methyl-4-oxo-5-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 144910293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).