N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N7O5 — CID 155864747

IUPACN-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCN1CCNC1=O)C1=NOC2(CCCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N7O3.C2HF3O2/c25-14(18-6-9-23-10-7-21-16(23)26)13-11-17(27-22-13)3-1-8-24(12-17)15-19-4-2-5-20-15;3-2(4,5)1(6)7/h2,4-5H,1,3,6-12H2,(H,18,25)(H,21,26);(H,6,7)
InChIKeyCEUSBMCSKRAIKO-UHFFFAOYSA-N
MW487.44 g/mol
LogP0.37
Rot. Bonds5

About N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155864747) has the molecular formula C19H24F3N7O5 and a molecular weight of 487.44 g/mol. Its IUPAC name is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155864747
Molecular FormulaC19H24F3N7O5
Molecular Weight487.44 g/mol
Exact Mass487.18
IUPAC NameN-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCN1CCNC1=O)C1=NOC2(CCCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N7O3.C2HF3O2/c25-14(18-6-9-23-10-7-21-16(23)26)13-11-17(27-22-13)3-1-8-24(12-17)15-19-4-2-5-20-15;3-2(4,5)1(6)7/h2,4-5H,1,3,6-12H2,(H,18,25)(H,21,26);(H,6,7)
InChIKeyCEUSBMCSKRAIKO-UHFFFAOYSA-N
XLogP0.37
TPSA149.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491341
(5R)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491342
4,4-difluoro-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 110123707
4,4-difluoro-N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 110123981
4,4-difluoro-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 124977051
4,4-difluoro-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 124977052
4,4-difluoro-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 125022635
4,4-difluoro-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 125022636
(5S)-N-(3,3-difluorocyclobutyl)-9-pyrimidin-4-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 129546867
(5R)-N-(3,3-difluorocyclobutyl)-9-pyrimidin-4-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 129546868
(5R)-9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 129546975
(5S)-9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 129546976

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155864747) is N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCN1CCNC1=O)C1=NOC2(CCCN(c3ncccn3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CEUSBMCSKRAIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3.C2HF3O2/c25-14(18-6-9-23-10-7-21-16(23)26)13-11-17(27-22-13)3-1-8-24(12-17)15-19-4-2-5-20-15;3-2(4,5)1(6)7/h2,4-5H,1,3,6-12H2,(H,18,25)(H,21,26);(H,6,7).
What are the key properties of N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 487.44 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxoimidazolidin-1-yl)ethyl]-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).