N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid

C18H24F3N5O5 — CID 167964435

IUPACN-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCCN1CCOCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O3.C2HF3O2/c1-11-10-24-8-7-20(11)6-5-17-15(22)9-13-12(2)19-14-3-4-18-21(14)16(13)23;3-2(4,5)1(6)7/h3-4,11,18H,5-10H2,1-2H3,(H,17,22);(H,6,7)
InChIKeyOOTOULCUZYQKNM-UHFFFAOYSA-N
MW447.41 g/mol
LogP0.34
Rot. Bonds5

About N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid

N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 167964435) has the molecular formula C18H24F3N5O5 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID167964435
Molecular FormulaC18H24F3N5O5
Molecular Weight447.41 g/mol
Exact Mass447.17
IUPAC NameN-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCCN1CCOCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N5O3.C2HF3O2/c1-11-10-24-8-7-20(11)6-5-17-15(22)9-13-12(2)19-14-3-4-18-21(14)16(13)23;3-2(4,5)1(6)7/h3-4,11,18H,5-10H2,1-2H3,(H,17,22);(H,6,7)
InChIKeyOOTOULCUZYQKNM-UHFFFAOYSA-N
XLogP0.34
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid (CID 167964435) is N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCCN1CCOCC1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OOTOULCUZYQKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3.C2HF3O2/c1-11-10-24-8-7-20(11)6-5-17-15(22)9-13-12(2)19-14-3-4-18-21(14)16(13)23;3-2(4,5)1(6)7/h3-4,11,18H,5-10H2,1-2H3,(H,17,22);(H,6,7).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid?
N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167964435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).