pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid

C21H24F3N5O4 — CID 118743690

IUPACpyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C19H23N5O2.C2HF3O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,13H,4-5,9-12,14-15H2;(H,6,7)
InChIKeyMUMYXDZZJLMJFO-UHFFFAOYSA-N
MW467.45 g/mol
LogP2.26
Rot. Bonds2

About pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid

pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118743690) has the molecular formula C21H24F3N5O4 and a molecular weight of 467.45 g/mol. Its IUPAC name is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118743690
Molecular FormulaC21H24F3N5O4
Molecular Weight467.45 g/mol
Exact Mass467.18
IUPAC Namepyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C19H23N5O2.C2HF3O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,13H,4-5,9-12,14-15H2;(H,6,7)
InChIKeyMUMYXDZZJLMJFO-UHFFFAOYSA-N
XLogP2.26
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

Pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
CID 97399493
[(5aR,9aS)-4-pyrimidin-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97511499
(4-Morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-pyridin-3-ylmethanone
CID 97516679
Pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 118739263
Pyridin-3-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 118743164
Ethyl 3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]-2-(2-pyrimidinylamino)propanoate
CID 4136220
4-[(4-Methyl-2-pyridin-3-ylpyrimidin-5-yl)carbonyl]-2-(trifluoromethyl)morpholine
CID 56868856
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97449618
2-[[2-(4-Morpholin-4-ylanilino)-4-pyridinyl]amino]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117076353
[2-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742918
Pyridin-3-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743163
Pyridin-4-yl-(8-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743167

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid (CID 118743690) is pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cccnc1)N1CCC2(CC1)COCCN(c1ncccn1)C2.
What is the InChIKey of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is MUMYXDZZJLMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C2HF3O2/c25-17(16-3-1-6-20-13-16)23-9-4-19(5-10-23)14-24(11-12-26-15-19)18-21-7-2-8-22-18;3-2(4,5)1(6)7/h1-3,6-8,13H,4-5,9-12,14-15H2;(H,6,7).
What are the key properties of pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid?
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 467.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).